CFAM Mol ID	CFAMM00310386
Family	CFFBM332 Cathepsin K inhibitor [(3S)-4,4-dimethyl-1-(naphthalene-2-carbonyl)-2-oxopyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate family
Superfamily	CFSID1755 Kappa-type opioid receptor and Delta-type opioid receptor Binder Superfamily 6
Class	CFCCD71 Class 884
External ID	CHEMBL206160	External Source	CHEMBL
PubChem CID	44409426	Functional Category	Bioactive
Molecule Name	[(3S)-1-benzoyl-4,4-dimethyl-2-oxopyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
IUPAC Name	[(3S)-1-benzoyl-4,4-dimethyl-2-oxopyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
Synonyms	CHEBI:442779
InChi	InChI=1S/C29H35N3O6/c1-5-6-17-22(23(33)25(34)30-19(2)20-13-9-7-10-14-20)31-28(37)38-24-27(36)32(18-29(24,3)4)26(35)21-15-11-8-12-16-21/h7-16,19,22,24H,5-6,17-18H2,1-4H3,(H,30,34)(H,31,37)/t19-,22+,24-/m1/s1
InChiKey	DESIODPKNCTHKC-WNOPAQSVSA-N
Formula	C29H35N3O6	Molecular Weight	521.60
Cross Link	CHEMBL206160
Structure

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).

Last update by

2014.08.29

27409 visits since 2014 .........

Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

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