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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01014790

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5672-[[(2R)-1-[[(2S)-5-amino-1-[(4-
carbamimidoylphenyl)methylamino]-
1,5-dioxo-pentan-2-yl]amino]-3-
(1H-indol-3-yl)-1-oxo-propan-2-
yl]sulfamoyl]ethanoic acid		H,L2ZWL0.75
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.72
XMH4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER		A1IQJ0.7
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.71
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.74
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.71
GSQ5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-
2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-SULFONAMIDE		A2J2U0.7
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE		A1MMR0.72
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM		A1ZE80.75
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.75
RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-
1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YL)-
SUCCINAMIDE		A1MMQ0.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.73
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.73
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID		A,B1MMP0.73
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.78
INDINDOLEA1L4H0.72
INDINDOLEA,B,G1O7N0.72
INDINDOLEA185L0.72
INDINDOLEA,B1EG90.72
INDINDOLEA,B1UUV0.72
INDINDOLEA,C,E2B240.72
INDINDOLEA,B,C,D,E,F2P850.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
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
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate		A2W0B0.73
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE		A,B,C,D2CKE0.73
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.7
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.7
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.7
XMG4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-
2-PIPERAZINECARBOXYLIC ACID		A1IQI0.73
WACN-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-
hexahydroindolo[2,3-a]quinolizin-
12(2H)-yl]propyl}propane-2-sulfonamide		B1S1S0.71
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.78
RDR4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-
1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-
C]PYRIDIN-2-YL]METHYL}PIPERAZIN-
2-ONE		A1NFX0.75
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.72
SBS(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE		A1IF80.77
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.72
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.72
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.72
DTRD-TRYPTOPHANA,B,C,D2R3C0.74
DTRD-TRYPTOPHANA1XY80.74
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.74
DTRD-TRYPTOPHANA2V7K0.74
DTRD-TRYPTOPHANA,D1CZQ0.74
DTRD-TRYPTOPHANA1DFY0.74
DTRD-TRYPTOPHANA1XY50.74
DTRD-TRYPTOPHANA1NXN0.74
DTRD-TRYPTOPHANA1TKF0.74
DTRD-TRYPTOPHANA1YL90.74
DTRD-TRYPTOPHANA1XXZ0.74
DTRD-TRYPTOPHANA1XY40.74
DTRD-TRYPTOPHANA,D2Q3I0.74
DTRD-TRYPTOPHANA1QFB0.74
DTRD-TRYPTOPHANA1DFZ0.74
DTRD-TRYPTOPHANA1XY90.74
DTRD-TRYPTOPHANA1XY60.74
DTRD-TRYPTOPHANA2SOC0.74
DTRD-TRYPTOPHANA2JUE0.74
DTRD-TRYPTOPHANA1SOC0.74
DTRD-TRYPTOPHANA1YL80.74
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.74
DTRD-TRYPTOPHANA,B2Q330.74
DTRD-TRYPTOPHANA1DG00.74
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.74
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE		A,B1W220.7
4FW4-FLUOROTRYPTOPHANEA1RM90.73
FTRFLUOROTRYPTOPHANEA2JT80.73
FTRFLUOROTRYPTOPHANEA,B1NF00.73
FTRFLUOROTRYPTOPHANEA2JTZ0.73
FTRFLUOROTRYPTOPHANEA,B1I450.73
FTRFLUOROTRYPTOPHANEA,B2ZNX0.73
FTRFLUOROTRYPTOPHANEA,B1NEY0.73
FTRFLUOROTRYPTOPHANEA,B5FWG0.73
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.76
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.76
CM6(2S)-2-[(2,1,3-BENZOTHIADIAZOL-
4-YLSULFONYL)AMINO]-2-PHENYL-N-
PYRIDIN-4-YLACETAMIDE		A2CIB0.72
Q742-(3-((4,5,7-trifluorobenzo[d]thiazol-
2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-
1-yl)acetic acid		A3G5E0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.73
SBR(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE		A1IF70.77
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.73
IOPINDOLYLPROPIONIC ACIDA2OLI0.73
IOPINDOLYLPROPIONIC ACIDA,B2AY50.73
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.73
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.77
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.71
S48METHYL N-{(3S)-1-[(1-METHYL-1H-
IMIDAZOL-5-YL)METHYL]-6-PHENYL-
1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-
N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE		A,B2IEJ0.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.74
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.74
QGG1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-
7-YL}SULFONYL)-D-PROLINE		A,B,C,D,E,F2VNT0.71
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid		A3ET30.72
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid		A,B3ET10.72
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid		A,B3ET20.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.74
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.74
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CAQ0.81
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CIZ0.81
K88(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-
TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-
2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE		A,D2WEL0.71
TPLTRYPTOPHANOLA1EE70.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.72
4IN4-AMINO-L-TRYPTOPHANA1OXF0.72
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE		A1IF90.74
P5BN-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-
{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE		H,L1WUN0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.7
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.74
XMA(-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-
8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-
SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-
2(3H),4'-PIPERIDIN]-5-ONE		A1IOE0.7