CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00186650" in compound.

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CFAM Mol ID CFAMM00186650
Family CFFID293 Prothrombin Inhibitor Efegatran Family
Superfamily CFSID21 Prothrombin and Neuromedin-K receptor Binder Superfamily
Class CFCID12 Class 1362
External ID CHEMBL199845 External Source CHEMBL
PubChem CID 44405920 Functional Category Bioactive
Molecule Name [(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-benzamidohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]boronic acid
IUPAC Name [(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-benzamidohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]boronic acid
Synonyms CHEBI:434022
InChi InChI=1S/C31H54BN11O7/c1-2-3-13-22(41-26(45)20-11-5-4-6-12-20)28(47)42-23(14-7-8-17-33)29(48)43-24(16-10-19-39-31(36)37)27(46)40-21(25(44)32(49)50)15-9-18-38-30(34)35/h4-6,11-12,21-24,49-50H,2-3,7-10,13-19,33H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,34,35,38)(H4,36,37,39)/t21-,22-,23-,24-/m0/s1
Formula C31H54BN11O7 Molecular Weight 703.64
Cross Link CHEMBL199845

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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