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BioLiP

PDB CCD ID: BL1
Number of entries in BioLiP: 2
Chemical formula: C16 H16 Cl N3 O3 S
InChI: InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)/t10-/m0/s1
InChIKey: NDDAHWYSQHTHNT-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl
CACTVS 3.341C[CH]1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)[S](N)(=O)=O
ACDLabs 10.04O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C
OpenEye OEToolkits 1.5.0C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl
CACTVS 3.341C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)[S](N)(=O)=O
Name:4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide;
Indapamide
DrugBank: DB07467
ZINC: ZINC000000601305
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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