SEQ2FUN

BioLiP

PDB CCD ID: B2Y
Number of entries in BioLiP: 4
Chemical formula: C13 H13 N
InChI: InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10,14H2
InChIKey: YHXKXVFQHWJYOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCc1ccccc1c2ccccc2
ACDLabs 10.04c2(c1ccccc1CN)ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2ccccc2CN
Name:1-biphenyl-2-ylmethanamine
ChEMBL: CHEMBL257036
DrugBank: DB07412
ZINC: ZINC000001632969
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).