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BioLiP

PDB CCD ID: FR3
Number of entries in BioLiP: 1
Chemical formula: C18 H19 N3 O2
InChI: InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)/t15-/m1/s1
InChIKey: URGFTPMACWKJKU-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)c1cn(cn1)[C@@H](CO)CCc2cccc3ccccc23
CACTVS 3.341NC(=O)c1cn(cn1)[CH](CO)CCc2cccc3ccccc23
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2CCC(CO)n3cc(nc3)C(=O)N
ACDLabs 10.04O=C(c1ncn(c1)C(CO)CCc3c2ccccc2ccc3)N
Name:1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
FR230513
DrugBank: DB03572
ZINC: ZINC000005974960
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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