Natural Product: NPC329495

Natural Product ID:  NPC329495
Common Name:   Ser-Ser
IUPAC Name:   (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
Synonyms:   Ser-Ser
Molecular Formula:   C6H12N2O5
Standard InCHIKey:  XZKQVQKUZMAADP-IMJSIDKUSA-N
Standard InCHI:  InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1
Canonical SMILES:  OC[C@@H](C(=O)O)N=C([C@H](CO)N)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO30193 Mycoplasma genitalium Species Mycoplasmataceae Bacteria PMID[22817898]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens EC50 = 140000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens IC50 = 130000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ratio = 770 16759105
NPT2 Others Unspecified Inhibition < 15 % 19060912

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC329495 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8367 Intermediate Similarity NPC297220
0.7917 Intermediate Similarity NPC219143
0.7917 Intermediate Similarity NPC226265
0.7843 Intermediate Similarity NPC181588
0.7547 Intermediate Similarity NPC270805
0.7547 Intermediate Similarity NPC93888
0.75 Intermediate Similarity NPC327831
0.7407 Intermediate Similarity NPC319175
0.74 Intermediate Similarity NPC107645
0.7368 Intermediate Similarity NPC325985
0.7358 Intermediate Similarity NPC153370
0.7321 Intermediate Similarity NPC321118
0.7321 Intermediate Similarity NPC316889
0.7222 Intermediate Similarity NPC286989
0.7222 Intermediate Similarity NPC328378
0.7083 Intermediate Similarity NPC69179
0.7069 Intermediate Similarity NPC38463
0.7031 Intermediate Similarity NPC118524
0.7 Intermediate Similarity NPC321536
0.6897 Remote Similarity NPC322573
0.6885 Remote Similarity NPC143722
0.6852 Remote Similarity NPC136159
0.6842 Remote Similarity NPC197087
0.6842 Remote Similarity NPC190184
0.6818 Remote Similarity NPC472579
0.6727 Remote Similarity NPC327542
0.6721 Remote Similarity NPC321468
0.6721 Remote Similarity NPC254541
0.6721 Remote Similarity NPC316826
0.6721 Remote Similarity NPC320598
0.6721 Remote Similarity NPC317143
0.6721 Remote Similarity NPC327748
0.6721 Remote Similarity NPC473599
0.6667 Remote Similarity NPC53449
0.6667 Remote Similarity NPC185755
0.6667 Remote Similarity NPC326212
0.6667 Remote Similarity NPC213876
0.6667 Remote Similarity NPC121517
0.6667 Remote Similarity NPC237525
0.6667 Remote Similarity NPC168375
0.6667 Remote Similarity NPC326992
0.6613 Remote Similarity NPC321419
0.6613 Remote Similarity NPC329564
0.6613 Remote Similarity NPC327170
0.6604 Remote Similarity NPC198301
0.6567 Remote Similarity NPC28348
0.6567 Remote Similarity NPC473985
0.6567 Remote Similarity NPC474299
0.6567 Remote Similarity NPC474298
0.6567 Remote Similarity NPC475808
0.6562 Remote Similarity NPC289691
0.6557 Remote Similarity NPC189301
0.6557 Remote Similarity NPC176164
0.6557 Remote Similarity NPC112224
0.6557 Remote Similarity NPC93861
0.6557 Remote Similarity NPC43169
0.6557 Remote Similarity NPC327895
0.6531 Remote Similarity NPC272614
0.6531 Remote Similarity NPC21290
0.6531 Remote Similarity NPC116709
0.6491 Remote Similarity NPC327239
0.6481 Remote Similarity NPC329263
0.6471 Remote Similarity NPC327250
0.6462 Remote Similarity NPC174304
0.6462 Remote Similarity NPC325597
0.6441 Remote Similarity NPC322091
0.6441 Remote Similarity NPC60672
0.6429 Remote Similarity NPC227850
0.6415 Remote Similarity NPC167986
0.6415 Remote Similarity NPC291186
0.64 Remote Similarity NPC63621
0.6393 Remote Similarity NPC318260
0.6393 Remote Similarity NPC317147
0.6389 Remote Similarity NPC315780
0.6364 Remote Similarity NPC309658
0.6364 Remote Similarity NPC248970
0.6364 Remote Similarity NPC306238
0.6308 Remote Similarity NPC145658
0.6296 Remote Similarity NPC325097
0.6296 Remote Similarity NPC132307
0.6296 Remote Similarity NPC126925
0.6226 Remote Similarity NPC105488
0.6207 Remote Similarity NPC125736
0.6207 Remote Similarity NPC114990
0.6197 Remote Similarity NPC476248
0.6182 Remote Similarity NPC208793
0.6182 Remote Similarity NPC285322
0.6182 Remote Similarity NPC327698
0.6182 Remote Similarity NPC118459
0.6176 Remote Similarity NPC319046
0.614 Remote Similarity NPC93081
0.614 Remote Similarity NPC140872
0.6087 Remote Similarity NPC126779
0.6071 Remote Similarity NPC49952
0.6071 Remote Similarity NPC136476
0.6066 Remote Similarity NPC10915
0.6056 Remote Similarity NPC55274
0.6038 Remote Similarity NPC66043
0.6034 Remote Similarity NPC112890
0.6034 Remote Similarity NPC324825
0.6034 Remote Similarity NPC316231
0.6 Remote Similarity NPC189178
0.6 Remote Similarity NPC263065
0.5965 Remote Similarity NPC204364
0.5965 Remote Similarity NPC316168
0.5932 Remote Similarity NPC315977
0.5932 Remote Similarity NPC137958
0.5932 Remote Similarity NPC273330
0.5926 Remote Similarity NPC317691
0.5926 Remote Similarity NPC326808
0.5926 Remote Similarity NPC254482
0.5926 Remote Similarity NPC110533
0.5918 Remote Similarity NPC260324
0.5882 Remote Similarity NPC470108
0.5882 Remote Similarity NPC9294
0.5867 Remote Similarity NPC37681
0.5846 Remote Similarity NPC68974
0.5844 Remote Similarity NPC314466
0.5833 Remote Similarity NPC29950
0.5833 Remote Similarity NPC19576
0.5833 Remote Similarity NPC315897
0.5833 Remote Similarity NPC322946
0.5821 Remote Similarity NPC315744
0.5806 Remote Similarity NPC2801
0.5797 Remote Similarity NPC470109
0.5789 Remote Similarity NPC228932
0.5781 Remote Similarity NPC190385
0.5781 Remote Similarity NPC328447
0.5775 Remote Similarity NPC476291
0.5775 Remote Similarity NPC478256
0.5775 Remote Similarity NPC476285
0.5775 Remote Similarity NPC477642
0.5769 Remote Similarity NPC25237
0.5763 Remote Similarity NPC43204
0.5763 Remote Similarity NPC152451
0.5763 Remote Similarity NPC245027
0.5763 Remote Similarity NPC193989
0.5763 Remote Similarity NPC226027
0.5763 Remote Similarity NPC84636
0.5763 Remote Similarity NPC174246
0.5763 Remote Similarity NPC170739
0.5763 Remote Similarity NPC162620
0.5763 Remote Similarity NPC62045
0.5758 Remote Similarity NPC273037
0.5758 Remote Similarity NPC322206
0.5758 Remote Similarity NPC477644
0.5714 Remote Similarity NPC81647
0.5714 Remote Similarity NPC313263
0.5714 Remote Similarity NPC84444
0.5714 Remote Similarity NPC145217
0.5714 Remote Similarity NPC470110
0.5694 Remote Similarity NPC328457
0.569 Remote Similarity NPC118187
0.5676 Remote Similarity NPC472595
0.5672 Remote Similarity NPC327252
0.5667 Remote Similarity NPC198398
0.5667 Remote Similarity NPC27359
0.5667 Remote Similarity NPC295832
0.566 Remote Similarity NPC18188
0.5658 Remote Similarity NPC316242
0.5645 Remote Similarity NPC183845
0.5645 Remote Similarity NPC279661
0.5634 Remote Similarity NPC193280
0.5634 Remote Similarity NPC314273
0.5625 Remote Similarity NPC278209
0.5616 Remote Similarity NPC477643
0.5616 Remote Similarity NPC477641
0.5616 Remote Similarity NPC320865
0.5614 Remote Similarity NPC191136
0.5606 Remote Similarity NPC177191
0.56 Remote Similarity NPC114517
0.56 Remote Similarity NPC328698

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC329495 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7917 Intermediate Similarity NPD8217 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD8216 Approved
0.7843 Intermediate Similarity NPD8810 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD8624 Approved
0.7358 Intermediate Similarity NPD8614 Approved
0.7119 Intermediate Similarity NPD9433 Approved
0.6842 Remote Similarity NPD8785 Approved
0.6667 Remote Similarity NPD8982 Approved
0.6531 Remote Similarity NPD8210 Phase 3
0.6531 Remote Similarity NPD8211 Approved
0.6515 Remote Similarity NPD8842 Clinical (unspecified phase)
0.6491 Remote Similarity NPD329 Discontinued
0.6491 Remote Similarity NPD9025 Approved
0.6462 Remote Similarity NPD348 Approved
0.6441 Remote Similarity NPD9419 Clinical (unspecified phase)
0.6415 Remote Similarity NPD8804 Approved
0.6415 Remote Similarity NPD8805 Approved
0.6364 Remote Similarity NPD8870 Approved
0.6296 Remote Similarity NPD8798 Approved
0.6269 Remote Similarity NPD2263 Discontinued
0.6269 Remote Similarity NPD886 Clinical (unspecified phase)
0.6269 Remote Similarity NPD1429 Clinical (unspecified phase)
0.6226 Remote Similarity NPD8198 Approved
0.6226 Remote Similarity NPD8197 Approved
0.6182 Remote Similarity NPD8610 Approved
0.6176 Remote Similarity NPD4241 Registered
0.6176 Remote Similarity NPD337 Discontinued
0.614 Remote Similarity NPD9214 Phase 3
0.614 Remote Similarity NPD8873 Approved
0.614 Remote Similarity NPD9213 Approved
0.614 Remote Similarity NPD8808 Approved
0.614 Remote Similarity NPD8809 Approved
0.6087 Remote Similarity NPD4242 Approved
0.6061 Remote Similarity NPD364 Discontinued
0.6061 Remote Similarity NPD1151 Approved
0.6034 Remote Similarity NPD9044 Approved
0.6 Remote Similarity NPD8869 Approved
0.6 Remote Similarity NPD9204 Approved
0.6 Remote Similarity NPD9205 Approved
0.5965 Remote Similarity NPD8208 Clinical (unspecified phase)
0.5965 Remote Similarity NPD8209 Phase 2
0.5932 Remote Similarity NPD8872 Phase 3
0.5932 Remote Similarity NPD8871 Approved
0.5926 Remote Similarity NPD8214 Approved
0.5926 Remote Similarity NPD8215 Approved
0.5915 Remote Similarity NPD2262 Clinical (unspecified phase)
0.5857 Remote Similarity NPD1815 Discontinued
0.5833 Remote Similarity NPD8846 Approved
0.5833 Remote Similarity NPD6944 Clinical (unspecified phase)
0.5833 Remote Similarity NPD1825 Clinical (unspecified phase)
0.5833 Remote Similarity NPD9441 Phase 2
0.5833 Remote Similarity NPD8847 Approved
0.5833 Remote Similarity NPD61 Approved
0.5789 Remote Similarity NPD8801 Approved
0.5781 Remote Similarity NPD9023 Clinical (unspecified phase)
0.5781 Remote Similarity NPD9661 Approved
0.5763 Remote Similarity NPD8802 Approved
0.5763 Remote Similarity NPD8803 Clinical (unspecified phase)
0.5763 Remote Similarity NPD9016 Clinical (unspecified phase)
0.5763 Remote Similarity NPD9021 Approved
0.5763 Remote Similarity NPD9017 Approved
0.5763 Remote Similarity NPD9018 Approved
0.5758 Remote Similarity NPD574 Approved
0.5753 Remote Similarity NPD366 Approved
0.5738 Remote Similarity NPD8851 Phase 1
0.5738 Remote Similarity NPD9420 Clinical (unspecified phase)
0.5672 Remote Similarity NPD575 Clinical (unspecified phase)
0.5667 Remote Similarity NPD9226 Approved
0.5667 Remote Similarity NPD9225 Phase 3
0.566 Remote Similarity NPD8623 Phase 1
0.5636 Remote Similarity NPD8609 Approved
0.5634 Remote Similarity NPD3724 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3733 Clinical (unspecified phase)
0.5616 Remote Similarity NPD2256 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   7019105;7019104
ChEMBL   CHEMBL379810
ZINC  

Physicochemical Properties

Molecular Weight:  192.07
ALogP:  -2.2829
MLogP:  1.35
XLogP:  -5.21
# Rotatable Bonds:  10
Polar Surface Area:  136.37
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  0
# Heavy Atoms:  13

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Similar NPs/Drugs