SEQ2FUN

BioLiP

PDB CCD ID: 6HZ
Number of entries in BioLiP: 1
Chemical formula: C19 H19 N O
InChI: InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3
InChIKey: NIOIWNZLGVRPNS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1ccccc1c3cc(C(=O)N2CC=CC2)ccc3C
CACTVS 3.385
OpenEye OEToolkits 2.0.4		Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3
Name:(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone
ChEMBL: CHEMBL3818759
ZINC: ZINC000584904750
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).