Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50502758
Substrate
n/a
Meas. Tech.
ChEMBL_1808807 (CHEMBL4308166)
IC50
>10000±n/a nM
Citation
 Cunha, MR; Bhardwaj, R; Lindinger, S; Butorac, C; Romanin, C; Hediger, MA; Reymond, JL Photoswitchable Inhibitor of the Calcium Channel TRPV6. ACS Med Chem Lett 10:1341-1345 (2019) [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:
BDBM50502758
Synonyms:
CHEMBL4580679
Type:
Small organic molecule
Emp. Form.:
C29H34N4
Mol. Mass.:
438.6071
SMILES:
C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(cc1)\N=N\c1ccccc1 |r,wD:10.14,7.7,(48.63,-31.61,;47.09,-31.6,;46.3,-32.92,;44.77,-32.9,;44.01,-31.56,;44.79,-30.24,;46.34,-30.26,;42.48,-31.54,;41.72,-30.2,;40.18,-30.19,;39.41,-31.52,;40.17,-32.86,;41.7,-32.87,;37.87,-31.52,;37.12,-30.18,;35.57,-30.17,;34.79,-31.5,;35.55,-32.84,;37.1,-32.85,;49.39,-32.96,;48.59,-34.28,;49.35,-35.62,;50.89,-35.64,;51.67,-34.3,;50.91,-32.97,;51.64,-36.98,;53.18,-37,;53.93,-38.34,;53.15,-39.66,;53.9,-41,;55.44,-41.01,;56.23,-39.68,;55.47,-38.34,)|
Structure:
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