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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02438492

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid		A3D9C0.71
PN1(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID		A1W2N0.73
PN1(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID		A1UNB0.73
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID		A,B,C,D,E,F1KVO0.78
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE		A1FKH0.71
SDK1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-
L-LEUCYL]AMINO]-2-PROPANONE		A1AU00.7
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE		A2P860.77
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE		A,B,C1F290.77
IZDISOTHIAZOLIDINONE ANALOGA2CM70.72
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B2GST0.75
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSW0.75
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSV0.75
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A1B4P0.75
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSX0.75
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSU0.75
MUWN-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-
6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-
BETA-PHENYL-L-PHENYLALANINAMIDE		A,B2Q3K0.74
FRFPHE-REDUCED-PHEA,I1GVX0.72
PP5METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-
L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-
3-PHENYL PROPANOATE		A2WEC0.7
FRG2-[3-METHYL-4-(N-METHYL-GUANIDINO)-
BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-
PHENYL)-PROPIONIC ACID METHYL ESTER		A,B1M480.71
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE		A1R1H0.73
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE		L3B7R0.73
PNMOPEN FORM - PENICILLIN GA1GHP0.77
PNMOPEN FORM - PENICILLIN GA1PWC0.77
PNMOPEN FORM - PENICILLIN GA1IYQ0.77
PNMOPEN FORM - PENICILLIN GA1FQG0.77
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.77
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.77
PNMOPEN FORM - PENICILLIN GA2EX80.77
PNNPENICILLIN GA,B1GM70.74
PNNPENICILLIN GB1FXV0.74
PNNPENICILLIN GA1UOF0.74
PNNPENICILLIN GA1UOB0.74
SUB3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PROPIONIC ACID ETHYL ESTER		A1J4H0.78
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)		A1QF20.72
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid		A3D7D0.72
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER		B1SIV0.73
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER		B1AAQ0.73
PH0N-{(2S)-3-[(R)-[(1R)-1-amino-2-
phenylethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}-L-phenylalanine		A2R590.72
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER		H,L1A8J0.71
CEH5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-
BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-
ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-
PROPYL}-2-(CARBOXY-PHENYLACETYLAMINO-
METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-
4-CARBOXYLIC ACID		A1HVB0.71
4MC(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-
1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-
2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE		A,C2EFM0.7
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1R1I0.77
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1QF10.77
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.76
VS23-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-
AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE		A1F2A0.75
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.71
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE		A,B,C,D2C4J0.72
HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-
3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-
PHENYLALANINOL		A1FMB0.78
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.76
TZTSOBLIDOTINA,B,C,D3E220.7
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER		A1HBV0.8
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine		X3B7U0.71
PG1PENICILLIN G ACYL-SERINEA,B1XA70.79
PG1PENICILLIN G ACYL-SERINEA2IWC0.79
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.79
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.71
FNH(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-
5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-
1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-
2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID		A,C2A4Q0.71
MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-
(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-
2-PHENYLETHYL]-AMIDE		A,B1M6D0.73
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.72
SOXN-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-
4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-
THIA-1-AZABICYCLO[3.2.0]HEPT-6-
YL]-2-PHENYLACETAMIDE		B1GM80.73
SOXN-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-
4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-
THIA-1-AZABICYCLO[3.2.0]HEPT-6-
YL]-2-PHENYLACETAMIDE		A,B1GM90.73
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide		A,B2QXG0.71
7392(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-
3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE		A,B1JCQ0.75
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE		A,B,C,D3BWK0.78
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE		A,B1NPZ0.78
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.78
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.78
VG3N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(pentylsulfonyl)benzamide		A2VIY0.7
MQQN-[(1S)-1-[({(1S)-3-PHENYL-1-[2-
(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-
3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-
4-CARBOXAMIDE		A2G6D0.79
AO1(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-
((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE		A1R5G0.74
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE		A2GG90.71
GGC1-MENAPHTHYL GLUTATHIONE CONJUGATEA,B3LJR0.8
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A3TLH0.72
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A1B110.72
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A6FIV0.72
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A5FIV0.72
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A2HAH0.72
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE		A1U4G0.71
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.74
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE		A,B2FV90.74
BAYB1VIK0.72
BAYA1VIJ0.72
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE		A,B1HTF0.75
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID		A1J4I0.77
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.72
TINA,B1N940.78
BCSBENZYLCYSTEINEA,B,G,H10GS0.7
BCSBENZYLCYSTEINEA1EH80.7
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		A1HTE0.78
MP2N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINEA,B2FU90.72
Q50{(1S)-1-BENZYL-4-[3-CARBAMOYL-1-
(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-
(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-
PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER		A,B1IZI0.74
Q50{(1S)-1-BENZYL-4-[3-CARBAMOYL-1-
(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-
(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-
PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER		B1IZH0.74
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID		A2RDD0.73
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID		A,B,C,D1NX90.73
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID		A1H8S0.73
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID		A2EX60.73
C4PN-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-
N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE		A1NQC0.79
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR		A1QF00.71
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE		A4FIV0.71
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE		A1ODY0.71
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE		A2FMB0.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL20.72
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL10.72
BCQN-[(1R)-1-[({[(5S)-3,5-DIMETHYL-
2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-
2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-
4-CARBOXAMIDE		A2FYE0.71
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE		A2BAN0.71
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B1MTC0.75
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B5FWG0.75
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B2PGT0.75
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B3FYG0.75
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B3GST0.75
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER		A,B1C8T0.86
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER		A,B1C3I0.86
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.8
M1N(1R)-3-METHYL-1-{[N-(MORPHOLIN-
4-YLCARBONYL)-3-(1-NAPHTHYL)-D-
ALANYL]AMINO}BUTYLBORONIC ACID		2,C,E,G,H,J,
L,N,P,R,T,V,
X,Z		2FHH0.74
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE		A2P7U0.74
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE		A,C2OZ20.74
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.71