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BioLiP

PDB CCD ID: H4O
Number of entries in BioLiP: 1
Chemical formula: C20 H21 N3 O3
InChI: InChI=1S/C20H21N3O3/c1-15(25)20-21-10-11-23(20)14-18-13-19(26-22-18)17-8-6-16(7-9-17)5-3-2-4-12-24/h6-11,13,15,24-25H,2,4,12,14H2,1H3/t15-/m0/s1
InChIKey: LYWGLMYUHVPQCZ-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O
CACTVS 3.385C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO
OpenEye OEToolkits 2.0.7C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O
CACTVS 3.385C[C@H](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO
Name:5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol
ChEMBL: CHEMBL4784327
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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