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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00480488

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA2J0J0.74
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEB2J0M0.74
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B2J0K0.74
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA1YVJ0.74
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B,C2HZ40.74
UCMREL-(9R,12S)-9,10,11,12-TETRAHYDRO-
9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-
KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-
1,3(2H)-DIONE		A1NVS0.75
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.72
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.7
XDRhexyl (5S,6R,8R)-6-hydroxy-5-methyl-
13-oxo-5,6,7,8-tetrahydro-13H-5,8-
epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-
jkl]cyclopenta[e]-as-indacene-6-
carboxylate		A,B3F690.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.71
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.71
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)		A2O1I0.72
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)		A,B3GSK0.72
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)		A3GSJ0.72
STUSTAUROSPORINEA,B3CBL0.74
STUSTAUROSPORINEA1QPJ0.74
STUSTAUROSPORINEA,B3CD30.74
STUSTAUROSPORINEA2ITU0.74
STUSTAUROSPORINEA,B2BUJ0.74
STUSTAUROSPORINEA,B2CLQ0.74
STUSTAUROSPORINEA1XBC0.74
STUSTAUROSPORINEA2ITW0.74
STUSTAUROSPORINEA1E8Z0.74
STUSTAUROSPORINEA1YHS0.74
STUSTAUROSPORINEA,B3D7T0.74
STUSTAUROSPORINEA1QPD0.74
STUSTAUROSPORINEA2Z7R0.74
STUSTAUROSPORINEA,B,C,D2NRY0.74
STUSTAUROSPORINEA1U590.74
STUSTAUROSPORINEA1NVR0.74
STUSTAUROSPORINEA,B,C,D2OIC0.74
STUSTAUROSPORINEA1AQ10.74
STUSTAUROSPORINEA1BYG0.74
STUSTAUROSPORINEA,B1SM20.74
STUSTAUROSPORINEX2DQ70.74
STUSTAUROSPORINEA3CKX0.74
STUSTAUROSPORINEA,B1Q3D0.74
STUSTAUROSPORINEE1STC0.74
STUSTAUROSPORINEA1OKY0.74
STUSTAUROSPORINEA1WVY0.74
STUSTAUROSPORINEA2HW70.74
STUSTAUROSPORINEA,B1SNU0.74
STUSTAUROSPORINEA2ITQ0.74
STUSTAUROSPORINEA,B,C,D1NXK0.74
STUSTAUROSPORINEA3BKB0.74
STUSTAUROSPORINEA1XJD0.74
STUSTAUROSPORINEA3FME0.74
STUSTAUROSPORINEA,B2GCD0.74
STUSTAUROSPORINEA,B,C2PZY0.74
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.71
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.82
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		B2J2I0.71
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		A1UU30.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.74
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.77
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.81
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.71
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE		A,B2G1O0.74
DCUA,B1J070.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.71
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.72
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM		A,B,D1NZM0.74
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.71
710(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-
1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-
2H-1,2,3-TRIAZOL-4-YL)METHANOL		A2HOG0.72
UCN7-HYDROXYSTAUROSPORINEA1OKZ0.71
UCN7-HYDROXYSTAUROSPORINEA,C1PKD0.71
UCN7-HYDROXYSTAUROSPORINEA1NVQ0.71
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
KSAK-252AA1R0P0.71
KSAK-252AA3EQF0.71
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.76