BioLiP

PDB

BioLiP

PDB CCD ID:

WUS

Number of entries in BioLiP:

Chemical formula:

C8 H13 N3

InChI:

InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1

InChIKey:

JGCNHPQMPGHGHT-ZCFIWIBFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[nH]c2CC[C@@H](N)Cc2n1
OpenEye OEToolkits 2.0.7	Cc1[nH]c2c(n1)C[C@@H](CC2)N
OpenEye OEToolkits 2.0.7	Cc1[nH]c2c(n1)CC(CC2)N
CACTVS 3.385	Cc1[nH]c2CC[CH](N)Cc2n1
ACDLabs 12.01	c12CC(CCc1nc(C)n2)N

Name:

(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine

ZINC:

ZINC000082407965

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).