BioLiP

PDB

BioLiP

PDB CCD ID:

W7V

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O

InChI:

InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1

InChIKey:

KPSCQDHJPNEXSJ-LDYMZIIASA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C(=O)[C]12CCC[CH]1C2)c3c[nH]nc3
CACTVS 3.385	CN(C(=O)[C@@]12CCC[C@@H]1C2)c3c[nH]nc3
OpenEye OEToolkits 2.0.7	CN(c1c[nH]nc1)C(=O)C23CCCC2C3
ACDLabs 12.01	C1CCC3C1(C(N(C)c2cnnc2)=O)C3
OpenEye OEToolkits 2.0.7	CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3

Name:

(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide

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).