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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03506615

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid		A3D7H0.7
GGC1-MENAPHTHYL GLUTATHIONE CONJUGATEA,B3LJR0.74
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.81
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.81
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH		H1LHG0.7
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE		A,B1HTF0.71
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine		A3BKK0.71
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID		A,B1F4G0.72
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE		A1UZE0.79
TPRTOSYL-D-PROLINEA1F4E0.74
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE		A,B1F4F0.75
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid		A3D7D0.72
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		A1HVB0.76
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.72
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE		A,B,C,D2C4J0.72
699(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-
1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-
2,4-DICARBOXYLIC ACID		A,B2JC00.77
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A,B2ZOF0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2HPT0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1TXR0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1XRY0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2EK90.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1HS60.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2DQM0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A3EBH0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1GW60.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A,B2ZOG0.7
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		A1W2N0.78
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		A1UNB0.78
ZEDL-PROLINE, 1-[(2S)-3-MERCAPTO-2-
METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-
, 4S		A2EWB0.82
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.74
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)		A1QF20.75
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.79
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1PI50.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A1NXY0.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1MXO0.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1YM10.71
PG1PENICILLIN G ACYL-SERINEA,B1XA70.75
PG1PENICILLIN G ACYL-SERINEA2IWC0.75
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.75
LGGN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-
L-GLUTAMINYL-N-[(1S)-4-AMINO-1-
(2-CARBOXYETHYL)-4-OXOBUTYL]-L-
LEUCINAMIDE		A,B2IPH0.71
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID		N1MMJ0.74
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.79
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine		X3B7U0.71
BM5(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-
DIHYDROTHIAZOLO[2,3-A]ISOINDOL-
3-CARBOXYLIC ACID METHYL ESTER		A1C0U0.74
PNNPENICILLIN GA,B1GM70.8
PNNPENICILLIN GB1FXV0.8
PNNPENICILLIN GA1UOF0.8
PNNPENICILLIN GA1UOB0.8
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID		A,B,C,D,E,F1KVO0.71
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.73
AXL2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-
ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		B1LL90.7
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID		A1J4I0.73
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		A2RDD0.78
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,D1NX90.78
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		A1H8S0.78
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		A2EX60.78
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE		A,B1J360.78
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE		A,B2C6N0.78
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE		A1O860.78
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		B1GM80.78
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,B1GM90.78
PNMOPEN FORM - PENICILLIN GA1GHP0.8
PNMOPEN FORM - PENICILLIN GA1PWC0.8
PNMOPEN FORM - PENICILLIN GA1IYQ0.8
PNMOPEN FORM - PENICILLIN GA1FQG0.8
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.8
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.8
PNMOPEN FORM - PENICILLIN GA2EX80.8
S2DN-BENZOYL-D-ALANINEA,B2JCI0.75
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.73
7392(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-
3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE		A,B1JCQ0.7
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		A1HTE0.78
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.7
ZAHN-[(BENZYLOXY)CARBONYL]-L-ALANYL-
L-PROLINE		A,B2BKL0.71
TINA,B1N940.77
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1R1I0.76
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1QF10.76
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE		A,B2FV90.72
072(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-
2-HEPTYL-4-OXO-5-THIAZOLIDINE		A,B,C,D4PRG0.73