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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03173649

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LZP4,4'-piperazine-1,4-diylbis{1-[3-
(benzyloxy)phenyl]-4-oxobutane-
1,3-dione}		A3EAX0.71
VRX(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-
4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-
YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID		A,B2HWI0.7
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.72
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.72
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QK50.74
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,H1NT10.7
AGGTIROFIBANA,B2VDM0.7
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.71
R224-(3,5-DIMETHYLPHENOXY)-5-(FURAN-
2-YLMETHYLSULFANYLMETHYL)-3-IODO-
6-METHYLPYRIDIN-2(1H)-ONE		A,B2BE20.74
NFN6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE		A1T9W0.78
L75N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-
PHENYLMETHYL-4(S)-HYDROXY-5-[4-
[2-BENZOFURANYLMETHYL]-2(S)-[TERT-
BUTYLAMINOCARBONYL]-PIPERAZINYL]-
PENTANEAMIDE		B1C700.71
32P3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-
5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE		A1TQF0.74
PI5N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14- TRIEN-11-YLAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL)-
PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-
1-YL)-BUTYRAMIDE		A,B1B6K0.71
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE		A,B1D8M0.71
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE		A,B1G050.71
LIJBENZYL [(1S)-2-({(1S,2R)-1-BENZYL-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-
2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE		A,B,C2HIZ0.75
PI41-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-
2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14-TRIEN-11-YL)-2-
HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A,B1B6L0.73
1771-[2-AMINO-2-CYCLOHEXYL-ACETYL]-
PYRROLIDINE-3-CARBOXYLIC ACID 5-
CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-
BENZYLAMIDE		A,B1TA60.7
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.71
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN		B1EEL0.7
K573-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL-BUTYRYL]-
5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT-
BUTYLAMIDE		B1MRX0.8
K573-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL-BUTYRYL]-
5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A1MRW0.8
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.76
MZ3N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(3-METHOXYPHENYL)SULFONYL](2-
THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-
2-METHYLBENZAMIDE		A,B2QI00.73
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE		A1TFT0.73
MC1METHICILLIN ACYL-SERINEA,B1MWU0.81
K214-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-
7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-
BENZOTHIAZEPINE		A,B1HAK0.75
SD2N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDEA,B1PWQ0.75
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.74
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.75
F1LN-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide		A2ZJL0.75
MR0N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
N~1~,N~1~-DIPROPYLBENZENE-1,3,5-
TRICARBOXAMIDE		A,B,C2P830.74
CNE(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-
3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-
3-OXOPROP-1-ENYL]PHENYL}ACETYL)-
D-VALYL]AMINO}-4-OXOPENTANOIC ACID		A1RHR0.71
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		A,B1KZK0.79
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		B1MSM0.79
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		A,B2ANL0.79
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		B1MSN0.79
MZ4N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(3-METHOXYPHENYL)SULFONYL](2-
THIENYLMETHYL)AMINO}PROPYL]-3,4-
DIHYDROXYBENZAMIDE		A,B2QI10.72
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		A2VIZ0.7
11M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-
1-yl]carbonyl}spiro[1-benzofuran-
3,4'-piperidin]-5-yl)methanamine		A,B,C,D2ZEB0.73
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE		A,B2HHN0.72
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE		A,B2HH50.72
3MB3-METHOXYBENZAMIDEA3PAX0.74
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.72
IN31-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-
5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE		A1AYW0.74
3XH3-Hydroxyhippuric acidA3E9K0.71
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE		A,B,C,D2EWY0.71
CS9N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QMF0.71
NHNA,C2GVF0.76
AXL2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-
ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		B1LL90.75
006(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-
2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-
2-hydroxy-2,3-dihydro-1H-inden-
1-yl]-5,5-dimethyl-1,3-thiazolidine-
4-carboxamide		A,B,C,D3FNU0.72
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one		A3FZ10.72
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one		X3FYK0.72
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.7
SBISORBINILA1AH00.7
SBISORBINILA2PDK0.7
14AN-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-
3-CHLORO-N-CYCLOPENTYLBENZAMIDE		H,I1T4V0.73
DRRA,B3BXR0.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL20.77
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL10.77
PI1A,B1B6J0.71
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE		A1EVE0.71
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide		A2ZJI0.78
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE		A2Q630.76
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE		B2Q640.76
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE		B,D2R5Q0.76
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE		A2PYN0.76
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE		A2QAK0.76
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE		A2PYM0.76
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE		A1OHR0.76
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE		A2F7D0.74
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE		A1FBL0.74
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.72