BioLiP

PDB

BioLiP

PDB CCD ID:

A1BD8

Number of entries in BioLiP:

Chemical formula:

C17 H21 Cl N2 O

InChI:

InChI=1S/C17H21ClN2O/c18-14-3-1-2-4-15(14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)/t11-,12+,13-,17-

InChIKey:

MRUZONZFWMDWAL-FBBPANFNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccccc1NNC(=O)C23CC4CC(CC(C4)C2)C3
OpenEye OEToolkits 3.1.0.0	c1ccc(c(c1)NNC(=O)C23CC4CC(C2)CC(C4)C3)Cl
ACDLabs 14.52	Clc1ccccc1NNC(=O)C12CC3CC(CC(C1)C3)C2

Name:

(3s,5s,7s)-N'-(2-chlorophenyl)adamantane-1-carbohydrazide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).