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BioLiP

PDB CCD ID: SNR
Number of entries in BioLiP: 4
Chemical formula: C9 H14 N2 O3 S
InChI: InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1
InChIKey: AINAXQHKYSZESH-HAFWLYHUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
OpenEye OEToolkits 1.5.0C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2
OpenEye OEToolkits 1.5.0C1C2C(C(S1)CCCC(=O)O)NC(=O)N2
CACTVS 3.341OC(=O)CCC[CH]1SC[CH]2NC(=O)N[CH]12
ACDLabs 10.04O=C1NC2C(SCC2N1)CCCC(=O)O
Name:NORBIOTIN;
4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID
DrugBank: DB02674
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)(download the PDF file).
  • 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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