SEQ2FUN

BioLiP

PDB CCD ID: M84
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N O3
InChI: InChI=1S/C16H15NO3/c18-15(19)11-8-12-6-9-14(10-7-12)17-16(20)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,20)(H,18,19)
InChIKey: YJZMWAPBBIMKSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc1ccc(cc1)CCC(=O)O)c2ccccc2
OpenEye OEToolkits 1.6.1c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O
CACTVS 3.352OC(=O)CCc1ccc(NC(=O)c2ccccc2)cc1
Name:3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID
ChEMBL: CHEMBL1234186
ZINC: ZINC000020226998
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).