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BioLiP

PDB CCD ID: SHM
Number of entries in BioLiP: 4
Chemical formula: C11 H18 N2 O3 S
InChI: InChI=1S/C11H18N2O3S/c14-9(15)5-3-1-2-4-8-10-7(6-17-8)12-11(16)13-10/h7-8,10H,1-6H2,(H,14,15)(H2,12,13,16)/t7-,8-,10-/m0/s1
InChIKey: CUIOUBJXOZHWNJ-NRPADANISA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCCCC[CH]1SC[CH]2NC(=O)N[CH]12
OpenEye OEToolkits 1.5.0C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2
ACDLabs 10.04O=C1NC2C(SCC2N1)CCCCCC(=O)O
OpenEye OEToolkits 1.5.0C1C2C(C(S1)CCCCCC(=O)O)NC(=O)N2
CACTVS 3.341OC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Name:HOMOBIOTIN;
6-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-HEXANOIC ACID
DrugBank: DB03112
ZINC: ZINC000005851657
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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