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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00029578

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
95ATMC-95AD,F,G,H,I,L,
N,O,P
1JD20.71
PZD(11aS)-7,8-dimethoxy-2-naphthalen-
2-yl-1,10,11,11a-tetrahydro-5H-
pyrrolo[2,1-c][1,4]benzodiazepin-
5-one
A,B2K4L0.71
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QK50.73
MUT(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-
1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-
METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-
2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
A,B2I0D0.73
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.72
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.7
B4Cbenzyl [(1S)-5-amino-1-{[(1S)-1-
({(1S)-5-amino-1-[(S)-1,3-benzoxazol-
2-yl(hydroxy)methyl]pentyl}carbamoyl)-
3-phenylpropyl]carbamoyl}pentyl]carbamate
B3E160.73
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.71
5153-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-
CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-
L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID
A1NNY0.75
BC6(4E,8S,9R,10E,12S,13R,14S,16R)-
13,20-dihydroxy-14-methoxy-4,8,10,12,16-
pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-
1(22),4,10,18,20-pentaen-9-yl carbamate
A,B,C,D2VW50.7
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
H,L1W2K0.75
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
A2VIZ0.81
6CAA2FLM0.71
0EZtert-butyl [(1S,2S)-1-benzyl-2-
hydroxy-3-{[(8S,11R)-8-[(1R)-1-
methylpropyl]-7,10-dioxo-2-oxa-
6,9-diazabicyclo[11.2.2]heptadeca-
1(15),13,16-trien-11-yl]amino}propyl]carbamate
A,B1MTR0.72
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.71
IN31-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-
5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
A1AYW0.71
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
757A,B,C3DM60.77
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,C2HIZ0.71
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
A1RE80.72
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
A1PH00.76
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.72
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
ZY3N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
6-(ETHYLAMINO)-1-METHYL-1,3,4,5-
TETRAHYDRO-2,1-BENZOTHIAZEPINE-
8-CARBOXAMIDE 2,2-DIOXIDE
A2WF30.75
AB8(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-
HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-
2-OXOETHYL]-2-OXO-1,3-OXAZINAN-
6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-
HEXAHYDRONAPHTHALEN-1-YL (2R)-2-
METHYLBUTANOATE
A,B1XDG0.7
PI8N-13-[(10S,13S)-9,12-DIOXO-10-(2-
BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-
15,17,18-TRIENE] (2R)-BENZYL-(4S)-
HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-
(2S)-INDANEAMIDE
A,B1D4K0.73
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.74
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE
A1W510.74
ZY2N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(3-methoxybenzyl)amino]propyl}-
8-ethyl-1-methyl-3,4-dihydro-1H,8H-
[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-
10-carboxamide 2,2-dioxide
A2WF20.74
R6GRHODAMINE 6GB2V3L0.76
NHNA,C2GVF0.72
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LEE0.75
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,C2P830.73
PH7(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-
2-PROPENOIC ACID
A1YVF0.72
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.74
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.73
CC0(4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-
4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-
ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID
A1IJR0.7
BV21,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-
BENZOYLAMINO]-PROPYL}-PIPERAZIN-
1-YL)-PROPYL-AMINO]-CARBONYLOXY)-
2-AMINO-PROPANE
D,E,F,G,H1RD90.71
B3Cbenzyl [(1R)-1-({(2S,4R)-2-({(1S)-
5-amino-1-[(S)-1,3-benzoxazol-2-
yl(hydroxy)methyl]pentyl}carbamoyl)-
4-[(4-methylbenzyl)oxy]pyrrolidin-
1-yl}carbonyl)-3-phenylpropyl]carbamate
B3E0P0.72
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID
A,B,C,D1K0Y0.71
AG6N-[(benzyloxy)carbonyl]-L-alpha-
glutamyl-N-[(1S)-4-oxo-4-phenyl-
1-propylbut-2-en-1-yl]-L-phenylalaninamide
A3FRZ0.7
BSDN-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(3-methoxybenzyl)amino]propyl}-
5-[methyl(methylsulfonyl)amino]-
N'-[(1R)-1-phenylethyl]benzene-
1,3-dicarboxamide
A,B,C,D2VKM0.78
PI9A,B1D4L0.71
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
A4UPJ0.71
BIQBENZYL [12-(2-AMINO-2-OXOETHYL)-
4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-
2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-
1(19),3(22),4,6,17,20-HEXAEN-9-
YL]CARBAMATE
H,V2GPL0.73
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
B2FS40.71
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
A2BKS0.71
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER
A,C,D,E,N,P,
Q,R
3H1I0.7
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER
A,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.7
BV31,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-
BENZOYLAMINO]-PROPYL}-PIPERAZIN-
1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-
AMINO-ETHYL]-AMINO-CARBONYLOXY)-
2-AMINO-PROPANE
D,E,F,G,H1RDP0.7
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.73
I26(2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID
H2V3O0.7
MU1N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-
3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-
5-YL]CARBONYL}AMINO)-1-BENZYL-3-
HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE
A,B2Q540.71
XN2N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-
PENTANAMIDE
A,B1K6V0.71
PI6[1-BENZYL-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-PROPYL] -CARBAMIC ACID TERT-
BUTYL ESTER
A,B1B6M0.72
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE
A,B,C,D2EWY0.71
012(4S)-N-[(1S,2R)-1-benzyl-3-{[3-
(dimethylamino)benzyl]amino}-2-
hydroxypropyl]-1-(3-methoxybenzyl)-
2-oxoimidazolidine-4-carboxamide
A,B,C3CKP0.75
1DMN-(2-MORPHOLIN-4-YL-1-MORPHOLIN-
4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-
TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-2-YLOXY)-BENZAMIDE
D,E,F,G,H1PZI0.7
AMYANTIMYCINC,D,E3BCC0.7
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LF20.75
343(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-
[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-
L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID
A,B,C2PJC0.73
C78[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-
CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-
PHENYL)- ETHYL]-CARBAMIC ACID 3-
AMINOBENZYLESTER
A,B,C,D,E,F,
G,H,I,J,K,L
1CJ10.72
XN3N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B1K6P0.71
44CA2FBR0.7
MUI(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-
1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-
METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-
2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
A,B2I0A0.73
PCYPACTAMYCINA,D,H,N1HNX0.73
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE
A,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.7
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.7
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
I25(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYLPHENYL}ACETIC ACID
H,I2V3H0.71