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Target
Adenylate cyclase
Ligand
BDBM50158383
Substrate
n/a
Meas. Tech.
ChEMBL_514280 (CHEMBL979110)
IC50
15000±n/a nM
Citation
 Schlicker, C; Rauch, A; Hess, KC; Kachholz, B; Levin, LR; Buck, J; Steegborn, C Structure-based development of novel adenylyl cyclase inhibitors. J Med Chem 51:4456-64 (2008) [PubMed]  Article 
Target
Name:
Adenylate cyclase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
133886.30
Organism:
Spirulina platensis
Description:
ChEMBL_514280
Residue:
1202
Sequence:
MSSPNRKLKPTILVVDDEPDNLDLLYRTFHREFKVLKAESGPAALKILEEVGEVAVIISDQRMPYMSGTEFLSLTATQYPDSIRIILTGYTDVEDLVEAINSGKVFKYVTKPWKSDELKAIVQQGLETHNVLKSRTEELRLAQKQESLLYEVTSTIRACPNSQEMLQRIVETVGKMFEVSYCLLRSFGVGSDLIGLGAGVSPTKQDITATQGKEWFAYLAEGQNHQNSTTDNISVINNNDLELRSLVWETTEVMILSEGLGNDISDHDGPEWQQRRDVYQRADIRSSLIVPLYYRQELLAVLALHHTGSPRNWHEHEVQLAAGVADQAALALSQVRAYEQVRELARREALVNTITNAIRSSLDPQKIFAAITEQLGEALEVDGCALSLWSPGDEYMQCVGLYNAAIKETVVETRPAALSEPDTSTTTNLPLLGVETNQSIESDQSDDLPQSAAPISGNPVLQELIRTRAPVAIADIEQRPDSMVMLPLRSPSKALLVVPLLLDGDIIGSISLRQNHQVRHWQPSEIDMVLLVAAQAALAVQQARLYQKTRQQAERLLEADRLKTEFFQNVSHEFRTPLTLMIGPLETVVNQQQDLSLDQAKIALRNSRRLLRLVNQLLDLQRFDAGRMQPSFRPCDLVEFCQQTVESFKSYCDRKQINLVTNLQSCPQLYLDLERFDKVLYNLLSNAMKFTPTDGTITVSLQPEGNYCRLMVKDTGIGIKQEQLPHLFERFRQAEGSANRSFEGSGLGLALVKELVELHHGRITVESEYGQGTTFTVWLQMGNLHLPPSPLLDVPAEFDARRAAVELADVEVDLPDVQIDDINLPEVLVADGSASLTDHGQLGSNTVLVVDDNPDLRRYVSMMLQNAGFNAVLAKNGADGFNKAQTYHPDVIVTDLMMPQVSGLELIRMIRSSPELRGTPIILLTAKADEDTRIEGVERGADAYVSKPFNDRELIAEVRNLQALKAEERRVAHLNKYLTESVLRRFLPESMVKKAAAGDLTLDLRPEPRLITILFSDIVGFTRMSNALQSQGVAELLNEYLGEMTRAVFENQGTVDKFVGDAIMALYGAPEEMSPSEQVRRAIATARQMLVALEKLNQGWQERGLVGRNEVPPVRFRCGIHQGMAVVGLFGSQERSDFTAIGPSVNIAARLQEATAPNSIMVSAMVAQYVPDEEIIKREFLELKGIDEPVMTCVINPNMLNQ
  
Inhibitor
Name:
BDBM50158383
Synonyms:
2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 4-bromobenzenesulfonate | 3,20-dioxopregn-4-en-21-yl 4-bromobenzenesulfonate | 4-Pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate) | CHEMBL387152 | NSC-88915
Type:
Small organic molecule
Emp. Form.:
C27H33BrO5S
Mol. Mass.:
549.517
SMILES:
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1 |r,t:8|
Structure:
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