SEQ2FUN

BioLiP

PDB CCD ID: EW2
Number of entries in BioLiP: 1
Chemical formula: C21 H16 Cl N5
InChI: InChI=1S/C21H16ClN5/c22-21-19(17-8-4-5-9-18(17)24-21)20-15(12-26-11-10-23-14-26)13-27(25-20)16-6-2-1-3-7-16/h1-11,13-14,24H,12H2
InChIKey: RNSBGQRYBQOSEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5
CACTVS 3.385Clc1[nH]c2ccccc2c1c3nn(cc3Cn4ccnc4)c5ccccc5
Name:2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole
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).