BioLiP

PDB

BioLiP

PDB CCD ID:

JVZ

Number of entries in BioLiP:

Chemical formula:

C19 H20 N2 O2

InChI:

InChI=1S/C19H20N2O2/c22-16(11-21-13-20-18-6-1-2-7-19(18)21)12-23-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-10,13,16,22H,3-5,11-12H2/t16-/m0/s1

InChIKey:

OZCCXUVVMPVMIB-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O
CACTVS 3.385	O[CH](COc1ccc2CCCc2c1)Cn3cnc4ccccc34
CACTVS 3.385	O[C@H](COc1ccc2CCCc2c1)Cn3cnc4ccccc34
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)ncn2CC(COc3ccc4c(c3)CCC4)O

Name:

(2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol

ZINC:

ZINC000037867298

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).