SEQ2FUN

BioLiP

PDB CCD ID: FRC
Number of entries in BioLiP: 1
Chemical formula: C19 H21 N3 O3
InChI: InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKey: UYAJDVNLQJVRHD-SCLBCKFNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O
ACDLabs 10.04O=C(c1ncn(c1)C(C(O)C)CCOc3cc2ccccc2cc3)N
CACTVS 3.341C[CH](O)[CH](CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O
CACTVS 3.341C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O
Name:1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE;
FR247581
ChEMBL: CHEMBL92404
DrugBank: DB07785
ZINC: ZINC000005890115
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).