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Target
Adenylate cyclase
Ligand
BDBM50198305
Substrate
n/a
Meas. Tech.
ChEMBL_514280 (CHEMBL979110)
IC50
5000±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:
BDBM50198305
Synonyms:
1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-sulfo-1,4:5,8-dimethanotriphenylene-10-carboxylic acid | 1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.1^{4,7}.0^{2,15}.0^{3,8}.0^{9,14}]icosa-5,9(14),10,12,17-pentaene-11-carboxylic acid | CHEMBL401844 | NSC-270718
Type:
Small organic molecule
Emp. Form.:
C21H8Cl12O5S
Mol. Mass.:
797.786
SMILES:
OC(=O)c1cc2C3C(C4C(c2cc1S(O)(=O)=O)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl |t:22,35|
Structure:
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