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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02381620

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1SEU0.84
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		12HY80.74
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A2IO60.71
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.71
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE		A,B1XOI0.7
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE		A2P940.71
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.74
KSAK-252AA1R0P0.78
KSAK-252AA3EQF0.78
CMB1-(3-carbamimidoylbenzyl)-N-(3,5-
dichlorobenzyl)-4-methyl-1H-indole-
2-carboxamide		B1LPZ0.7
3964-(2-chlorophenyl)-9-hydroxy-6-
methyl-1,3-dioxo-N-(2-pyrrolidin-
1-ylethyl)pyrrolo[3,4-g]carbazole-
8-carboxamide		A3BI60.75
THXA1AUL0.73
IPFN-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-
ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-
2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE		A,B2A1E0.73
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.71
UCN7-HYDROXYSTAUROSPORINEA1OKZ0.8
UCN7-HYDROXYSTAUROSPORINEA,C1PKD0.8
UCN7-HYDROXYSTAUROSPORINEA1NVQ0.8
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.76
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL		A,B1EM60.74
STUSTAUROSPORINEA,B3CBL0.81
STUSTAUROSPORINEA1QPJ0.81
STUSTAUROSPORINEA,B3CD30.81
STUSTAUROSPORINEA2ITU0.81
STUSTAUROSPORINEA,B2BUJ0.81
STUSTAUROSPORINEA,B2CLQ0.81
STUSTAUROSPORINEA1XBC0.81
STUSTAUROSPORINEA2ITW0.81
STUSTAUROSPORINEA1E8Z0.81
STUSTAUROSPORINEA1YHS0.81
STUSTAUROSPORINEA,B3D7T0.81
STUSTAUROSPORINEA1QPD0.81
STUSTAUROSPORINEA2Z7R0.81
STUSTAUROSPORINEA,B,C,D2NRY0.81
STUSTAUROSPORINEA1U590.81
STUSTAUROSPORINEA1NVR0.81
STUSTAUROSPORINEA,B,C,D2OIC0.81
STUSTAUROSPORINEA1AQ10.81
STUSTAUROSPORINEA1BYG0.81
STUSTAUROSPORINEA,B1SM20.81
STUSTAUROSPORINEX2DQ70.81
STUSTAUROSPORINEA3CKX0.81
STUSTAUROSPORINEA,B1Q3D0.81
STUSTAUROSPORINEE1STC0.81
STUSTAUROSPORINEA1OKY0.81
STUSTAUROSPORINEA1WVY0.81
STUSTAUROSPORINEA2HW70.81
STUSTAUROSPORINEA,B1SNU0.81
STUSTAUROSPORINEA2ITQ0.81
STUSTAUROSPORINEA,B,C,D1NXK0.81
STUSTAUROSPORINEA3BKB0.81
STUSTAUROSPORINEA1XJD0.81
STUSTAUROSPORINEA3FME0.81
STUSTAUROSPORINEA,B2GCD0.81
STUSTAUROSPORINEA,B,C2PZY0.81
P918-bromo-4-(2-chlorophenyl)-N-(2-
hydroxyethyl)-6-methyl-1,3-dioxo-
1,2,3,6-tetrahydropyrrolo[3,4-e]indole-
7-carboxamide		A3CQE0.74
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,B3F690.75
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1H5U0.72
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1C500.72
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1LWO0.72
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		A1NVS0.76
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.71
770N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-
1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-
9-YL]FORMAMIDE		A2Z2W0.75
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		B2J2I0.7
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		A1UU30.7
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.73
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA2J0J0.81
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEB2J0M0.81
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B2J0K0.81
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA1YVJ0.81
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B,C2HZ40.81
61E4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-
9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-
1,3(2H,6H)-dione		A3BIZ0.74