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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03452632

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LO22-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-
1,1,1,3,3,3-hexafluoropropan-2-
ol
A,B,C,D3FAL0.73
14AN-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-
3-CHLORO-N-CYCLOPENTYLBENZAMIDE
H,I1T4V0.71
T76(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-
2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-
PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-
CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-
TETRONE
A,H1NT10.72
012(4S)-N-[(1S,2R)-1-benzyl-3-{[3-
(dimethylamino)benzyl]amino}-2-
hydroxypropyl]-1-(3-methoxybenzyl)-
2-oxoimidazolidine-4-carboxamide
A,B,C3CKP0.71
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
A2BU70.72
MKR1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-
1-YL)PROPYL]-8-FLUORO-3-PHENYL-
3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-
2-YL}ETHANONE
A,B2Q2Y0.73
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.76
D564-(2-aminoethoxy)-N-(3-chloro-2-
ethoxy-5-piperidin-1-ylphenyl)-
3,5-dimethylbenzamide
A2VIW0.75
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE
A1TL30.74
R23METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-
PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-
(4-CHLOROPHENYL)-ESTER
A,B,C1O790.74
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
B2FS40.74
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
A2BKS0.74
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.73
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.7
JP1N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-
4-CARBOXAMIDE
A,B1ZXL0.71
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.73
4332-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-
PHENYL)-ETHYL]-3-(2,3-DICHLORO-
PHENYL)-UREIDO]-PROPYL}-PHENOXY)-
2-METHYL-PROPIONIC ACID
A,B1GWX0.75
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.72
A6T(1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-
N-cyclopropyl-N-(2,3-dichlorobenzyl)-
3,9-diazabicyclo[3.3.1]non-6-ene-
6-carboxamide
A,B3G720.71
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE
A1TKT0.74
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
A2VIP0.74
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID
A1WV00.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.8
331(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-
1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-
METHYLBUTYRIC ACID
A,B1Y0S0.72
XNI(11S)-10-acetyl-11-[4-(benzyloxy)-
3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-
hexahydro-1H-dibenzo[b,e][1,4]diazepin-
1-one
A,B3CSO0.77
QUMQUINACRINE MUSTARDA,B1GXF0.73
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.75
L11N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-
PHENYL]-3-FLUORO-
A1W830.7
A5T(1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-
N-cyclopropyl-N-(2,3-dichlorobenzyl)-
3,9-diazabicyclo[3.3.1]non-6-ene-
6-carboxamide
A,B3G700.71
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide
A3DLE0.76
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide
A2VIV0.78
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.7
A7T(1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-
dichloro-4-methylphenoxy)ethoxy]phenyl}-
N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-
6-ene-6-carboxamide
A,B3G6Z0.7
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
A4UPJ0.71
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HHN0.73
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HH50.73
BN34-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACIDA1WUY0.7
DRF(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-
10-YL)ETHOXY]PHENYL}PROPANOIC ACID
A1NYX0.7
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
A,B3DMJ0.71
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
A,B3DLG0.71
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
A,B3DM20.71
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.8
BN27-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACIDA1WUT0.7
1771-[2-AMINO-2-CYCLOHEXYL-ACETYL]-
PYRROLIDINE-3-CARBOXYLIC ACID 5-
CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-
BENZYLAMIDE
A,B1TA60.73
B5R(2S)-3-(4-chloro-3-fluorophenoxy)-
N-[4-cyano-3-(trifluoromethyl)phenyl]-
2-hydroxy-2-methylpropanamide
A3B5R0.74
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.7