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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03081654

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AG1RUTHENIUM PYRIDOCARBAZOLEA,B2JLD0.71
SA32,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-
6,7,12,13-TETRAHYDROINDOLO[2,3-
A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE		A,C,D1SEU0.73
1ST(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-
5-METHYL-7-(METHYLAMINO)-6,7,8,9-
TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-
TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-
JKL]CYCLOPENTA[E]-AS-INDACEN-14-
ONE		12HY80.75
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA2J0J0.85
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEB2J0M0.85
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B2J0K0.85
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA1YVJ0.85
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B,C2HZ40.85
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		A1NVS0.86
STUSTAUROSPORINEA,B3CBL0.85
STUSTAUROSPORINEA1QPJ0.85
STUSTAUROSPORINEA,B3CD30.85
STUSTAUROSPORINEA2ITU0.85
STUSTAUROSPORINEA,B2BUJ0.85
STUSTAUROSPORINEA,B2CLQ0.85
STUSTAUROSPORINEA1XBC0.85
STUSTAUROSPORINEA2ITW0.85
STUSTAUROSPORINEA1E8Z0.85
STUSTAUROSPORINEA1YHS0.85
STUSTAUROSPORINEA,B3D7T0.85
STUSTAUROSPORINEA1QPD0.85
STUSTAUROSPORINEA2Z7R0.85
STUSTAUROSPORINEA,B,C,D2NRY0.85
STUSTAUROSPORINEA1U590.85
STUSTAUROSPORINEA1NVR0.85
STUSTAUROSPORINEA,B,C,D2OIC0.85
STUSTAUROSPORINEA1AQ10.85
STUSTAUROSPORINEA1BYG0.85
STUSTAUROSPORINEA,B1SM20.85
STUSTAUROSPORINEX2DQ70.85
STUSTAUROSPORINEA3CKX0.85
STUSTAUROSPORINEA,B1Q3D0.85
STUSTAUROSPORINEE1STC0.85
STUSTAUROSPORINEA1OKY0.85
STUSTAUROSPORINEA1WVY0.85
STUSTAUROSPORINEA2HW70.85
STUSTAUROSPORINEA,B1SNU0.85
STUSTAUROSPORINEA2ITQ0.85
STUSTAUROSPORINEA,B,C,D1NXK0.85
STUSTAUROSPORINEA3BKB0.85
STUSTAUROSPORINEA1XJD0.85
STUSTAUROSPORINEA3FME0.85
STUSTAUROSPORINEA,B2GCD0.85
STUSTAUROSPORINEA,B,C2PZY0.85
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.71
KSAK-252AA1R0P0.95
KSAK-252AA3EQF0.95
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.75
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.7
UCN7-HYDROXYSTAUROSPORINEA1OKZ0.81
UCN7-HYDROXYSTAUROSPORINEA,C1PKD0.81
UCN7-HYDROXYSTAUROSPORINEA1NVQ0.81
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
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		B2J2I0.72
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		A1UU30.72
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,B3F690.92