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BioLiP

PDB CCD ID: WNW
Number of entries in BioLiP: 1
Chemical formula: C18 H24 N2 O3 S
InChI: InChI=1S/C18H24N2O3S/c1-11-5-7-13(8-6-11)24(22,23)20-18(21)19-17-10-12-9-16(17)15-4-2-3-14(12)15/h5-8,12,14-17H,2-4,9-10H2,1H3,(H2,19,20,21)/t12-,14-,15-,16-,17-/m1/s1
InChIKey: WZALWBDDQLUQBM-LMHBHQSJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CC3CC2C4C3CCC4
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)NC(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@@H]4CCC[C@H]34
ACDLabs 12.01Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1CC2CC1C1CCCC21
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)NC(=O)N[CH]2C[CH]3C[CH]2[CH]4CCC[CH]34
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]4[C@@H]3CCC4
Name:4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide
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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