Structure of PDB 1wda Chain A Binding Site BS06 |
| >1wda Chain A (length=628) Species: 9606 (Homo sapiens)
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GTLIRVTPEQPTHAVCVLGTLTQLDICSSAPETSFSINASPGVVVDITWP
LDPGVEVTLTMKAASGSTGDQKVQISYYGPKTPPVKALLYLTAVEISLCA
DITRTGKQRTWTWGPCGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQ
DMSLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATCSVVLGPKWPS
HYLMVPGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVF
QDSVVFRVAPWIMTPNTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLT
ICPEEENMDDQWMQDEMEIGYIQAPHKTLPVVFDSPRNRGLKEFPIKRVM
GPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRGKEYPLGRILFGDSCY
PSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVPAPDRK
GFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTL
REHNSFVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPN
MVNMLVLGKHLGIPKPFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFT
YHIRHGEVHAGTNVRRKPFSFKWWNMVP |
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| Ligand ID | BAG |
| InChI | InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8,14H2,(H,18,20)(H4,15,16,17) |
| InChIKey | YRINIXCRGISJPA-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N | | CACTVS 3.341 | N\C(O)=C(CCCNC(N)=N)/NC(=O)c1ccccc1 | | CACTVS 3.341 | NC(O)=C(CCCNC(N)=N)NC(=O)c1ccccc1 | | ACDLabs 10.04 | O=C(N/C(=C(/O)N)CCCNC(=[N@H])N)c1ccccc1 |
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| Formula | C13 H19 N5 O2 |
| Name | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE;
BENZOYL-L-ARGININE AMIDE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1wda Chain A Residue 801
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