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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01499937

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FONFOLINIC ACIDA,B1QD10.7
FONFOLINIC ACIDA,B2BLN0.7
FONFOLINIC ACIDA,B,C,D1VRQ0.7
FONFOLINIC ACIDA,B1KL20.7
FONFOLINIC ACIDA,B1XZQ0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.7
7123-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-
METHYL-D-PHENYLALANINATE		A2PH60.74
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.71
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate		A3C7Q0.77
TGF2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-
OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-
6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY-
BUTYRYLAMINO]-PENTANEDIOIC ACID		A,B,C,D1LS30.7
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE		A1A540.71
ZAHN-[(BENZYLOXY)CARBONYL]-L-ALANYL-
L-PROLINE		A,B2BKL0.72
11B(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-
2,7-DIOXA-4-AZA-6-PHOSPHANONAN-
9-OIC ACID 6-OXIDE		A,B,C2PJ50.7
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.78
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
I03(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-
({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE		A2IS00.72
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID		A2F710.72
NBLN2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-
1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE		A1YK70.7
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.71
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid		B,E,G,H,J,L,
N,P		3H060.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.77
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE		A,B2OYM0.75
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.7
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER		X1U9Q0.7
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.71
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9T0.77
FCK3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-
tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid		B3FCK0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
SK2(3R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER		A2F6V0.73
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.94
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.77
33Z(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-
L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID		A,B,C2PJA0.74
AG6N-[(benzyloxy)carbonyl]-L-alpha-
glutamyl-N-[(1S)-4-oxo-4-phenyl-
1-propylbut-2-en-1-yl]-L-phenylalaninamide		A3FRZ0.7
77BBENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DCC0.7
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.79
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.81
L04A1HFS0.71
MEFN-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-
hexahydroimidazo[1,5-f]pteridin-
8(9H)-yl]phenyl}carbonyl)-L-glutamic acid		A3BGX0.71
ENBETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-
BUTOXYCARBONYL)-L-VALYL]AMINO}-
2-PHENYLETHANOYL)AMINO]-5-[(3S)-
2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE		A,B2D2D0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.7
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.7
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.76
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.71
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.72
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.76
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.77
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.75
GBS4-GUANIDINOBENZOIC ACIDX2AH40.74
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.74
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.74
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.74
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE		A,B2F350.7
ZRABENZOYL-ARGININE-ALANINE-METHYL KETONEA2AIM0.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.81