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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03081636

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.73
HR1(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-
ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-
3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-
3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6C0.7
UCN7-HYDROXYSTAUROSPORINEA1OKZ0.84
UCN7-HYDROXYSTAUROSPORINEA,C1PKD0.84
UCN7-HYDROXYSTAUROSPORINEA1NVQ0.84
FRNA2CV30.71
STUSTAUROSPORINEA,B3CBL0.86
STUSTAUROSPORINEA1QPJ0.86
STUSTAUROSPORINEA,B3CD30.86
STUSTAUROSPORINEA2ITU0.86
STUSTAUROSPORINEA,B2BUJ0.86
STUSTAUROSPORINEA,B2CLQ0.86
STUSTAUROSPORINEA1XBC0.86
STUSTAUROSPORINEA2ITW0.86
STUSTAUROSPORINEA1E8Z0.86
STUSTAUROSPORINEA1YHS0.86
STUSTAUROSPORINEA,B3D7T0.86
STUSTAUROSPORINEA1QPD0.86
STUSTAUROSPORINEA2Z7R0.86
STUSTAUROSPORINEA,B,C,D2NRY0.86
STUSTAUROSPORINEA1U590.86
STUSTAUROSPORINEA1NVR0.86
STUSTAUROSPORINEA,B,C,D2OIC0.86
STUSTAUROSPORINEA1AQ10.86
STUSTAUROSPORINEA1BYG0.86
STUSTAUROSPORINEA,B1SM20.86
STUSTAUROSPORINEX2DQ70.86
STUSTAUROSPORINEA3CKX0.86
STUSTAUROSPORINEA,B1Q3D0.86
STUSTAUROSPORINEE1STC0.86
STUSTAUROSPORINEA1OKY0.86
STUSTAUROSPORINEA1WVY0.86
STUSTAUROSPORINEA2HW70.86
STUSTAUROSPORINEA,B1SNU0.86
STUSTAUROSPORINEA2ITQ0.86
STUSTAUROSPORINEA,B,C,D1NXK0.86
STUSTAUROSPORINEA3BKB0.86
STUSTAUROSPORINEA1XJD0.86
STUSTAUROSPORINEA3FME0.86
STUSTAUROSPORINEA,B2GCD0.86
STUSTAUROSPORINEA,B,C2PZY0.86
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
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.71
KSAK-252AA1R0P1
KSAK-252AA3EQF1
IPFN-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-
ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-
2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE		A,B2A1E0.71
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		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
FLLOCTAHEDRAL RU-PYRIDOCARBAZOLEA3FXZ0.7
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		12HY80.77
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA2J0J0.86
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEB2J0M0.86
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B2J0K0.86
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA1YVJ0.86
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B,C2HZ40.86
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.71
CM7N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
7-ethyl-1-methyl-3,4-dihydro-1H-
[1,2,5]thiadiazepino[3,4,5-hi]indole-
9-carboxamide 2,2-dioxide		A2VNN0.72
ZY4N-[(1S)-1-BENZYL-2,2-DIHYDROXY-
3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-
6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-
CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE		A2WF40.71
3964-(2-chlorophenyl)-9-hydroxy-6-
methyl-1,3-dioxo-N-(2-pyrrolidin-
1-ylethyl)pyrrolo[3,4-g]carbazole-
8-carboxamide		A3BI60.71
THXA1AUL0.71
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE		A,B2DXS0.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.7
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.76
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.7
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,D1SEU0.76
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
ME3RUTHENIUM-PYRIDOCARBAZOLE-3A2BZJ0.71
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.73
AG1RUTHENIUM PYRIDOCARBAZOLEA,B2JLD0.74
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,B3F690.93