Structure of PDB 9bwt Chain A Binding Site BS02 |
| >9bwt Chain A (length=898) Species: 9606 (Homo sapiens)
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CMRTFGYNTIDVVPTYEHYANSTQPGEPRKVRPTLADLHSFLPVRFGWVK
GVMIRCMLNIWGVILYLRLPWITAQAGIVLTWIIILLSVTVTSITGLSIS
AISTNGKVKSGGTYFLISRSLGPELGGSIGLIFAFANAVGVAMHTVGFAE
TVRDLLQEYGAPIVDPINDIRIIAVVSVTVLLAISLAGMEWESKAQVLFF
LVIMVSFANYLVGTLIPPSEDKASKGFFSYRADIFVQNLVPDWRGPDGTF
FGMFEIFFPSATGILAGANISGDLKDPAIAIPKGTLMAIFWTTISYLAIS
ATIGSCVVRDASGVLNDTVTPGWGACEGLACSYGWNFTECTQQHSCHYGL
INYYQTMSMVSGFAPLITAGIFGATLSSALACLVSAAKVFQCLCEDQLYP
LIGFFGKGYGKNKEPVRGYLLAYAIAVAFIIIAELNTIAPIISNFFLCSY
ALINFSCFHASITNSPGWRPSFQYYNKWAALFGAIISVVIMFLLTWWAAL
IAIGVVLFLLLYVIYKKPEVNWGSSVQAGSYNLALSYSVGLNEVEDHIKN
YRPQCLVLTGPPNFRPALVDFVGTFTRNLSLMICGHVLIGPHKQRMPELQ
LIANGHTKWLNKRKIKAFYSDVIAEDLRRGVQILMQAAGLGRMKPNILVV
GFKKNWQSAHPATVEDYIGILHDAFDFNYGVCVMRMREGLNVSEQATTIF
QSEQGKKTIDIYWLFDDGGLTLLIPYLLGRKRRWSKCKIRVFVGGQINRM
DQERKAIISLLSKFRLGFHEVHILPDINQNPRAEHTKRFEDMIAPFRLND
GFKDEATVNEMRRDCPWKISDEEITKNRVKSLRQVRLNEIVLDYSRDAAL
IVITLPIGRKGKCPSSLYMAWLETLSQDLRPPVILIRGNQENVLTFYC |
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| Ligand ID | HCZ |
| InChI | InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13) |
| InChIKey | JZUFKLXOESDKRF-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 | | ACDLabs 11.02 | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N | | CACTVS 3.352 | N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl |
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| Formula | C7 H8 Cl N3 O4 S2 |
| Name | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
| ChEMBL | CHEMBL435 |
| DrugBank | DB00999 |
| ZINC | ZINC000000896569
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| PDB chain | 9bwt Chain A Residue 1302
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