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BioLiP

PDB CCD ID: FR6
Number of entries in BioLiP: 1
Chemical formula: C19 H21 N3 O2
InChI: InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKey: OODDZQQDDOVCFD-SCLBCKFNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](O)[CH](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O
OpenEye OEToolkits 1.5.0CC(C(CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O
CACTVS 3.341C[C@H](O)[C@@H](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O
ACDLabs 10.04O=C(c1ncn(c1)C(C(O)C)CCc3c2ccccc2ccc3)N
Name:1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE;
FR233623
ChEMBL: CHEMBL93560
DrugBank: DB03220
ZINC: ZINC000000024494
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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