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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00453017

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.72
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.71
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE
A1A540.8
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.8
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.86
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.86
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.86
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.86
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.71
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
B2FS40.7
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
A2BKS0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.7
ILHA2FQI0.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.7
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID
A1DVY0.71
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
A4UPJ0.75
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.75
3FTA2BXV0.71
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.72
XM56-methoxy-9-methyl[1,3]dioxolo[4,5-
h]quinolin-8(9H)-one
A,B3G5M0.7
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.79
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.79
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.84
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.71
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.73
DRF(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-
10-YL)ETHOXY]PHENYL}PROPANOIC ACID
A1NYX0.7
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one
A,B3GAM0.78
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.7
R6GRHODAMINE 6GB2V3L0.73
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.74
RHQRHODAMINE 6GA,B,D,E1JUS0.73
RHQRHODAMINE 6GA,B,D,E3BR50.73
RHQRHODAMINE 6GA,D,E3BR60.73
RHQRHODAMINE 6GA,B3D6Z0.73
RHQRHODAMINE 6GA1OY80.73
RHQRHODAMINE 6GA1T9V0.73