Structure of PDB 4f4c Chain A Binding Site BS02 |
>4f4c Chain A (length=1250) Species: 6239 (Caenorhabditis elegans)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
NGSLRQSLRTLDSFSLAPEDVLKTAIKTVEDYEGDNIDSNGEIKITRDEV VNKVSIPQLYRYTTTLEKLLLFIGTLVAVITGAGLPLMSILQGKVSQAFI NEQIVINNNGSTFLPTGQNYTKTDFEHDVMNVVWSYAAMTVGMWAAGQIT VTCYLYVAEQMNNRLRREFVKSILRQEISWFDTNHSGTLATKLFDNLERV KEGTGDKIGMAFQYLSQFITGFIVAFTHSWQLTLVMLAVTPIQALCGFAI AKSMSTFAIRETLRYAKAGKVVEETISSIRTVVSLNGLRYELERYSTAVE EAKKAGVLKGLFLGISFGAMQASNFISFALAFYIGVGWVHDGSLNFGDML TTFSSVMMGSMALGLAGPQLAVLGTAQGAASGIYEVLDRKPVIDSSSKAG RKDMKIKGDITVENVHFTYPSRPDVPILRGMNLRVNAGQTVALVGSSGCG KSTIISLLLRYYDVLKGKITIDGVDVRDINLEFLRKNVAVVSQEPALFNC TIEENISLGKEGITREEMVAACKMANAEKFIKTLPNGYNTLVGDRGTQLS GGQKQRIAIARALVRNPKILLLDEATSALDAESEGIVQQALDKAAKGRTT IIIAHRLSTIRNADLIISCKNGQVVEVGDHRALMAQQGLYYDLVTAQTFT DAVDSAAEGERIGKDALSRLKQELEENNAQKTNLFEILYHARPHALSLFI GMSTATIGGFIYPTYSVFFTSFMNVFAGNPADFLSQGHFWALMFLVLAAA QGICSFLMTFFMGIASESLTRDLRNKLFRNVLSQHIGFFDSPQNASGKIS TRLATDVPNLRTAIDFRFSTVITTLVSMVAGIGLAFFYGWQMALLIIAIL PIVAFGQYLRGRRFTGKNVKSASEFADSGKIAIEAIENVRTVQALAREDT FYENFCEKLDIPHKEAIKEAFIQGLSYGCASSVLYLLNTCAYRMGLALII TDPPTMQPMRVLRVMYAITISTSTLGFATSYFPEYAKATFAGGIIFGMLR KISKIDSLSLAGEKKKLYGKVIFKNVRFAYPERPEIEILKGLSFSVEPGQ TLALVGPSGCGKSTVVALLERFYDTLGGEIFIDGSEIKTLNPEHTRSQIA IVSQEPTLFDCSIAENIIYGLDPSSVTMAQVEEAARLANIHNFIAELPEG FETRVGDRGTQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEKVV QEALDRAREGRTCIVIAHRLNTVMNADCIAVVSNGTIIEKGTHTQLMSEK |
|
|
Ligand ID | 0SA |
InChI | InChI=1S/C23H44O10S/c1-2-3-4-5-6-7-8-9-10-11-34-23-20(30)18(28)21(15(13-25)32-23)33-22-19(29)17(27)16(26)14(12-24)31-22/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23+/m1/s1 |
InChIKey | SQISXDUZDUDUNY-GNKAUAAYSA-N |
SMILES | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O | CACTVS 3.370 | CCCCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | CACTVS 3.370 | CCCCCCCCCCCS[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O | ACDLabs 12.01 | S(CCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO |
|
Formula | C23 H44 O10 S |
Name | undecyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside |
ChEMBL | |
DrugBank | |
ZINC | ZINC000098207859
|
PDB chain | 4f4c Chain A Residue 1406
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
Enzyme Commision number |
7.6.2.2: ABC-type xenobiotic transporter. |
|
|
|