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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03313549

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol		A2RH10.71
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.72
UCN7-HYDROXYSTAUROSPORINEA1OKZ0.75
UCN7-HYDROXYSTAUROSPORINEA,C1PKD0.75
UCN7-HYDROXYSTAUROSPORINEA1NVQ0.75
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,D1SEU0.75
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
KSAK-252AA1R0P0.75
KSAK-252AA3EQF0.75
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.73
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.72
4F3[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(4-FLUORO-1H-INDOL-3-YLMETHYL)-
5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID		A1RM90.7
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A2Q570.71
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXE0.71
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXD0.71
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.71
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		12HY80.72
710(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-
1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-
2H-1,2,3-TRIAZOL-4-YL)METHANOL		A2HOG0.71
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		A1NVS0.72
WSA5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINEA,B,C,D2YY50.71
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A1DMT0.71
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A3DWB0.71
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A3DBK0.71
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.72
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		B2J2I0.73
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		A1UU30.73
VAW(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-
3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-
2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-
2H-pyran-5-carboxylate		A,B2VAQ0.71
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA2J0J0.8
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEB2J0M0.8
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B2J0K0.8
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA1YVJ0.8
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B,C2HZ40.8
IPFN-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-
ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-
2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE		A,B2A1E0.74
IMK2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-
1-BENZIMIDAZOLE		A1XKX0.7
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.7
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,B3F690.73
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.74
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE		A,B2G1O0.7
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.7
FRNA2CV30.73
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2JF60.72
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2V910.72
TYMTRYPTOPHANYL-5'AMPA,B2QUJ0.71
TYMTRYPTOPHANYL-5'AMPA1I6K0.71
TYMTRYPTOPHANYL-5'AMPA,B1R6U0.71
TYMTRYPTOPHANYL-5'AMPA1I6M0.71
TYMTRYPTOPHANYL-5'AMPA,B1R6T0.71
TYMTRYPTOPHANYL-5'AMPA1I6L0.71
STUSTAUROSPORINEA,B3CBL0.8
STUSTAUROSPORINEA1QPJ0.8
STUSTAUROSPORINEA,B3CD30.8
STUSTAUROSPORINEA2ITU0.8
STUSTAUROSPORINEA,B2BUJ0.8
STUSTAUROSPORINEA,B2CLQ0.8
STUSTAUROSPORINEA1XBC0.8
STUSTAUROSPORINEA2ITW0.8
STUSTAUROSPORINEA1E8Z0.8
STUSTAUROSPORINEA1YHS0.8
STUSTAUROSPORINEA,B3D7T0.8
STUSTAUROSPORINEA1QPD0.8
STUSTAUROSPORINEA2Z7R0.8
STUSTAUROSPORINEA,B,C,D2NRY0.8
STUSTAUROSPORINEA1U590.8
STUSTAUROSPORINEA1NVR0.8
STUSTAUROSPORINEA,B,C,D2OIC0.8
STUSTAUROSPORINEA1AQ10.8
STUSTAUROSPORINEA1BYG0.8
STUSTAUROSPORINEA,B1SM20.8
STUSTAUROSPORINEX2DQ70.8
STUSTAUROSPORINEA3CKX0.8
STUSTAUROSPORINEA,B1Q3D0.8
STUSTAUROSPORINEE1STC0.8
STUSTAUROSPORINEA1OKY0.8
STUSTAUROSPORINEA1WVY0.8
STUSTAUROSPORINEA2HW70.8
STUSTAUROSPORINEA,B1SNU0.8
STUSTAUROSPORINEA2ITQ0.8
STUSTAUROSPORINEA,B,C,D1NXK0.8
STUSTAUROSPORINEA3BKB0.8
STUSTAUROSPORINEA1XJD0.8
STUSTAUROSPORINEA3FME0.8
STUSTAUROSPORINEA,B2GCD0.8
STUSTAUROSPORINEA,B,C2PZY0.8
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL		A,B1EM60.7
LI23-FLUORO-5-MORPHOLIN-4-YL-N-[3-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
5-YL]BENZAMIDE		A1WBS0.7
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID		A1KNU0.7
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.7
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		C2OXM0.72
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		B,C2OYT0.72