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Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50550085
Substrate
n/a
Meas. Tech.
ChEMBL_2026369 (CHEMBL4680527)
IC50
370±n/a nM
Citation
 Cunha, MR; Bhardwaj, R; Carrel, AL; Lindinger, S; Romanin, C; Parise-Filho, R; Hediger, MA; Reymond, JL Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor. RSC Med Chem 11:1032-1040 (2020) [PubMed]  Article 
Target
Name:
Transient receptor potential cation channel subfamily V member 6
Synonyms:
CaT-L | CaT-like | CaT1 | Calcium transport protein 1 | ECAC2 | Epithelial calcium channel 2 | TRPV6 | TRPV6_HUMAN
Type:
PROTEIN
Mol. Mass.:
87295.84
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103784
Residue:
765
Sequence:
MGPLQGDGGPALGGADVAPRLSPVRVWPRPQAPKEPALHPMGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWESPLLLAAKDNDVQALNKLLKYEDCKVHQRGAMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALHIAVVNQNMNLVRALLARRASVSARATGTAFRRSPCNLIYFGEHPLSFAACVNSEEIVRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDRHGDHLQPLDLVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHTQWTYGPLTSTLYDLTEIDSSGDEQSLLELIITTKKREARQILDQTPVKELVSLKWKRYGRPYFCMLGAIYLLYIICFTMCCIYRPLKPRTNNRTSPRDNTLLQQKLLQEAYMTPKDDIRLVGELVTVIGAIIILLVEVPDIFRMGVTRFFGQTILGGPFHVLIITYAFMVLVTMVMRLISASGEVVPMSFALVLGWCNVMYFARGFQMLGPFTIMIQKMIFGDLMRFCWLMAVVILGFASAFYIIFQTEDPEELGHFYDYPMALFSTFELFLTIIDGPANYNVDLPFMYSITYAAFAIIATLLMLNLLIAMMGDTHWRVAHERDELWRAQIVATTVMLERKLPRCLWPRSGICGREYGLGDRWFLRVEDRQDLNRQRIQRYAQAFHTRGSEDLDKDSVEKLELGCPFSPHLSLPMPSVSRSTSRSSANWERLRQGTLRRDLRGIINRGLEDGESWEYQI
  
Inhibitor
Name:
BDBM50550085
Synonyms:
CHEMBL4762249
Type:
Small organic molecule
Emp. Form.:
C22H29N3O
Mol. Mass.:
351.4852
SMILES:
O=c1ccc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)c2ccccc2)c[nH]1 |r,wU:12.12,15.19,(4.26,-30.95,;5.59,-30.18,;5.59,-28.64,;6.91,-27.85,;8.24,-28.64,;9.58,-27.87,;10.92,-28.64,;10.9,-30.19,;12.23,-30.96,;13.57,-30.21,;13.58,-28.67,;12.24,-27.88,;14.9,-30.98,;16.23,-30.22,;17.56,-31.01,;17.54,-32.55,;16.2,-33.31,;14.88,-32.52,;18.87,-33.33,;18.84,-34.86,;20.16,-35.63,;21.5,-34.88,;21.51,-33.34,;20.19,-32.57,;8.24,-30.18,;6.91,-30.94,)|
Structure:
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