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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01591344

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
A,B,C,D1PVJ0.72
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.73
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
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE
A1W510.7
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate
K,Y3E470.7
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide
A3DLE0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.72
AG6N-[(benzyloxy)carbonyl]-L-alpha-
glutamyl-N-[(1S)-4-oxo-4-phenyl-
1-propylbut-2-en-1-yl]-L-phenylalaninamide
A3FRZ0.71
RXC(1S)-1-(3-chlorophenyl)-2-oxo-2-
[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
5-yl)amino]ethyl acetate
A,B,C,D3DEJ0.74
ARQBENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-
3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-
4-PHENYL-BUTYL]-AMMONIUM
A3AID0.7
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.75
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.7
M18{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-
2-yl}methyl (3-chlorophenyl)acetate
H,I3EGK0.72
PEM2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-
2-METHYLPROPIONIC ACID
A,B1IWH0.8
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE
A1RT70.73
153(2S)-2-[(2,4-DICHLORO-BENZOYL)-
(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-
3-PHENYL-PROPIONIC ACID
A,B1NHU0.74
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
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
A1RE80.7
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.72
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.7
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
A2VIP0.71
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.72
CS7N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-
2-YL]-1-(3,5-DIFLUOROBENZYL)-2-
HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QMD0.72
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.74
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.74
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid
A3B690.71
MSC2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-
CHLORO-6-FLUORO-BENZYLAMIDE (2-
HYDROXY-INDAN-1- YL)-AMIDE
B1D4J0.72
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.73
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.7
388(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-
5-CHLOROPHENOXY)ACETIC ACID
A2IKI0.72
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.73
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.71
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE
A2GG80.7
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE
A,B2OP90.7
1771-[2-AMINO-2-CYCLOHEXYL-ACETYL]-
PYRROLIDINE-3-CARBOXYLIC ACID 5-
CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-
BENZYLAMIDE
A,B1TA60.74
46C4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-
2(1H)-yl)methyl]benzoic acid
A2ZDT0.71
77BBENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DCC0.73