BioLiP

PDB

BioLiP

PDB CCD ID:

D6V

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3

InChI:

InChI=1S/C11H13N3/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)/t8-/m0/s1

InChIKey:

OFQGVINTJUCLFL-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)[nH]c(n2)C3CCNC3
ACDLabs 12.01	c32nc(C1CNCC1)nc2cccc3
CACTVS 3.385	C1C[C@@H](CN1)c2[nH]c3ccccc3n2
CACTVS 3.385	C1C[CH](CN1)c2[nH]c3ccccc3n2
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3

Name:

2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole

ZINC:

ZINC000049169026

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).