SEQ2FUN

BioLiP

PDB CCD ID: JDQ
Number of entries in BioLiP: 2
Chemical formula: C18 H16 N4
InChI: InChI=1S/C18H16N4/c19-18-11-16(20-21-18)15-7-6-14-8-9-22(17(14)10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H3,19,20,21)
InChIKey: IXGUTMYAJBKSPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N
CACTVS 3.385Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4)c3c2
Name:3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine
ChEMBL: CHEMBL4537315
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).