SEQ2FUN

BioLiP

PDB CCD ID: EV3
Number of entries in BioLiP: 3
Chemical formula: C10 H12 Cl N3 O
InChI: InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)
InChIKey: NSMVCZCLMLZSOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1cc2nc(N)n(c2cc1)CCCO
OpenEye OEToolkits 1.7.0c1cc2c(cc1Cl)nc(n2CCCO)N
CACTVS 3.370Nc1nc2cc(Cl)ccc2n1CCCO
Name:3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol
ChEMBL: CHEMBL1221922
ZINC: ZINC000004709834
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).