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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02891718

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID
A1WV00.7
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
A1SIH0.73
PFA[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-
3,5-DIMETHYL-PHENYL]-6-AZAURACIL
A,B1N460.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.73
NBQ2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)TYROSINE
A1SII0.73
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.71
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID
A,B,C,D1K0Y0.72
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide
A2VIV0.71
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.75
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.74
IN31-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-
5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
A1AYW0.76
4266-[(Z)-AMINO(IMINO)METHYL]-N-[3-
(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
A1OWI0.73
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.74
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.73
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.71
413(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-
PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-
ACETYLAMINO]-PHENYL-ACETIC ACID
H,L1W7X0.78
413(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-
PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-
ACETYLAMINO]-PHENYL-ACETIC ACID
H1W8B0.78
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.71
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LEE0.7
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41VBB0.74
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41PO10.74
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.77
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
H,L1W2K0.77
905(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-
1-(3,5-DIETHOXY-2-FLUOROPHENYL)-
2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE
H,L1YGC0.71
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.75
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.72
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.76
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER
A1ZSK0.73
R6GRHODAMINE 6GB2V3L0.71
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
A4UPJ0.73
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.75
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
A2VIP0.71
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.7
EMD5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-
TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-
3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-
ONE
A1IH00.72
I26(2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID
H2V3O0.75
44CA2FBR0.74
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBE0.73
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBA0.73
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBD0.73
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LF20.7
346(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-
[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-
FURAN-3-YLOXY]-PHENYL]-ACETIC ACID
H2BZ60.75
FMXFAMOXADONEC,D,E1L0L0.73
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
A1PH00.74
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
L,P1MPA0.73
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
L,P2MPA0.73
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
I,L1DZH0.73
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41PO20.73
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41VBC0.73
5616-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-
4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-
YL}-1-BENZOFURAN-5-CARBOXYLIC ACID
A,B2QCT0.72
GP81-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREAA1BJV0.7
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.72
RHQRHODAMINE 6GA,B,D,E1JUS0.74
RHQRHODAMINE 6GA,B,D,E3BR50.74
RHQRHODAMINE 6GA,D,E3BR60.74
RHQRHODAMINE 6GA,B3D6Z0.74
RHQRHODAMINE 6GA1OY80.74
RHQRHODAMINE 6GA1T9V0.74
6CAA2FLM0.74
JK13-{4-[(phenylcarbamoyl)amino]-1H-
pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide
A3FI20.7
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.75
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide
A2VIZ0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.74
I25(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYLPHENYL}ACETIC ACID
H,I2V3H0.76