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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00112173

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION		H,I,J1A6V0.73
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE		A1HOV0.72
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID		A,B1NMS0.77
3BN3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-
(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-
5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE		A2B8V0.72
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE		A2I4H0.73
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE		A2I4G0.73
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.73
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID		A1RWV0.74
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		A2WF20.7
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION		H1A6W0.7
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide		A,B3ESP0.71
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID		A1YW90.71
TAVN-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-
5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-
L-ASPARTIC ACID		A,B,C,D1YBG0.74
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.72
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A,B,C,D2P4J0.71
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.74
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.7
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.7
MSI1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-
1-SULFONYL)-1H-INDOLE-2,3-DIONE		A1GFW0.74
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.73
HTC3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-
2-CARBOXYLIC ACID		A,B1XGJ0.72
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.71
C44N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1S)-1,2,3,4-tetrahydronaphthalen-
1-ylamino]propyl}-3-(1,1-dioxido-
1,2-thiazinan-2-yl)-5-(ethylamino)benzamide		A2VIJ0.71
8883-(1,1-dioxido-4H-1,2,4-benzothiadiazin-
3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-
2(1H)-one		A,B2FVC0.73
PI9A,B1D4L0.74
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.75
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID		A2F710.7
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
ANTANTHRAMYCINA274D0.72
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		1KYI0.72
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE		A,B,C,G,H,I,
L,M,N		1OFI0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.7
GWIN-({4-[({4-chloro-2-[(3-chloro-
5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-
3-methylphenyl}sulfonyl)propanamide		A3DOL0.71
GWJ2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-
N-(2-methyl-4-sulfamoylphenyl)acetamide		A3DOK0.71
RYU(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-
1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-
2,3'-BIINDOL-2'(1'H)-ONE		A2BHH0.78
UNBN-(4-CARBAMIMIDOYL-BENZYL)-2-[2-
HYDROXY-6-METHYL-3-(NAPHTHALENE-
1-SULFONYLAMINO)-PHENYL]-ACETAMIDE		A,B2BDY0.76
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.76
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.75
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.71
CM8N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
3-(1,1-dioxido-1,2-thiazinan-2-
yl)-5-(ethylamino)benzamide		A2VNM0.71
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE		A,B,C,D,E,F2P6F0.7
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EKO0.73
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EL30.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.73
FUN5-(AMINOSULFONYL)-4-CHLORO-2-[(2-
FURYLMETHYL)AMINO]BENZOIC ACID		A1Z9Y0.7
033N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-
1,1'-BIPHENYL-4-YL}SULFONYL)-L-
VALINE		A,B,C,D1ZTQ0.73
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.74
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.72
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE		H1WZ10.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.74
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.74
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.73
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		2QJP0.72
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		2QJK0.72
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.71
3XH3-Hydroxyhippuric acidA3E9K0.71
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FLS0.7
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FM10.7
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,B2I0D0.76
AZX4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-
N,N-DIMETHYLBENZAMIDE		A2Q8G0.7
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,D2VKM0.74
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.7
AMYANTIMYCINC,D,E3BCC0.72
5HAN-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A2B8L0.72
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.79
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.7
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.71
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE		A,B2QI70.7
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID		A2EA20.71
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,B2I0A0.75
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.73
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		3H1I0.72
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		1PPJ0.72
DDTN,O-DIDANSYL-L-TYROSINEA,B1JG00.74
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A1KE50.72
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE		A2BU60.75