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BioLiP

PDB CCD ID: U51
Number of entries in BioLiP: 6
Chemical formula: C20 H32 N2 O2
InChI: InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1
InChIKey: SRIZDZJPKIYUPZ-IDUFWMFESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCC/C=C\CC2C1N=NC(C1)C2/C=C/CCCCCC
CACTVS 3.370CCCCCCC=C[CH]1[CH]2C[CH](N=N2)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2
OpenEye OEToolkits 1.7.6CCCCCCC=CC1C2CC(C1CC=CCCCC(=O)O)N=N2
CACTVS 3.370CCCCCC\C=C\[C@H]1[C@H]2C[C@H](N=N2)[C@@H]1C\C=C/CCCC(O)=O
Name:(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid;
9,11-AZOPROSTA-5Z,13E-DIEN-1-OIC ACID;
U-51605
DrugBank: DB08675
ZINC: ZINC000049872120
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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