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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02855837

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE		A1UZE0.71
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid		A3D9C0.71
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUX0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.72
R99N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE		A1EWL0.72
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
TGN3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-
8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID METHYL ESTER		L2AJX0.77
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.74
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.73
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A,B2ZOF0.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2HPT0.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1TXR0.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1XRY0.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2EK90.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1HS60.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2DQM0.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A3EBH0.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1GW60.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A,B2ZOG0.74
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
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL		A1BH60.7
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.77
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE		A,B1J360.71
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE		A,B2C6N0.71
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE		A1O860.71
ZU5N-[(benzyloxy)carbonyl]-O-tert-
butyl-L-threonyl-N-[(1R)-4-cyclopropyl-
4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}butyl]-L-leucinamide		A2ZU50.71
CY9(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
3-benzyl-6,12-dihydroxy-4,10,12-
trimethyl-5-methylidene-1,11-dioxo-
2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-
1H-cycloundeca[d]isoindol-15-yl acetate		A3EKU0.75
CY9(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
3-benzyl-6,12-dihydroxy-4,10,12-
trimethyl-5-methylidene-1,11-dioxo-
2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-
1H-cycloundeca[d]isoindol-15-yl acetate		A3EKS0.75
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID		H1RIV0.76
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		H,L1D6V0.73
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		A,B,H,L1AXS0.73
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE		A2GG00.71
FRFPHE-REDUCED-PHEA,I1GVX0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.81
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.81
TZTSOBLIDOTINA,B,C,D3E220.7
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1QYG0.8
HTQHOMOTROPINEA,B,C2DQZ0.82
HTQHOMOTROPINEA,B,C,D,E,F1MX50.82
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL		A2F1B0.71
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione		A,B,C3DV50.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.7
RBE3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1RIU0.82
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.73
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE		A2GG90.73
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.75
PG9D-PHENYLGLYCINEA,B,G,H10GS0.71
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.71
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A1TH60.94
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A2ARM0.94
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.77
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE		A1FKH0.7
4PH4-methyl-L-phenylalanineB,C3BV90.71
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.72
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.73
DPND-PHENYLALANINEP1MCS0.71
DPND-PHENYLALANINEA1GOE0.71
DPND-PHENYLALANINEA2RM90.71
DPND-PHENYLALANINEA1SOC0.71
DPND-PHENYLALANINEB,C,E,F1SFQ0.71
DPND-PHENYLALANINEI1ABJ0.71
DPND-PHENYLALANINEP1DWE0.71
DPND-PHENYLALANINEI,M1HLT0.71
DPND-PHENYLALANINEA,H,L1J9C0.71
DPND-PHENYLALANINEI,T1TMB0.71
DPND-PHENYLALANINEA2JRY0.71
DPND-PHENYLALANINEA2SOC0.71
DPND-PHENYLALANINEA2YYF0.71
DPND-PHENYLALANINEI2HGT0.71
DPND-PHENYLALANINEA,D2Q3I0.71
DPND-PHENYLALANINEA,P1MCD0.71
DPND-PHENYLALANINEP1HAO0.71
DPND-PHENYLALANINEA,B,I1Z8J0.71
DPND-PHENYLALANINEA,B,C2PGQ0.71
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y		1DVA0.71
DPND-PHENYLALANINEP1NRR0.71
DPND-PHENYLALANINEI1PPB0.71
DPND-PHENYLALANINEC,D,G,H1NU70.71
DPND-PHENYLALANINEI2HPP0.71
DPND-PHENYLALANINEB,C2OD30.71
DPND-PHENYLALANINEA1B0Q0.71
DPND-PHENYLALANINEB,C,E,F1NU90.71
DPND-PHENYLALANINEA,B,I1Z8I0.71
DPND-PHENYLALANINEH,I,J1TMU0.71
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.71
DPND-PHENYLALANINEA1GO90.71
DPND-PHENYLALANINEB,C,E,F1A0H0.71
DPND-PHENYLALANINEP1MCF0.71
DPND-PHENYLALANINEA2RME0.71
DPND-PHENYLALANINEH,I1TMT0.71
DPND-PHENYLALANINEI1ABI0.71
DPND-PHENYLALANINER1NRQ0.71
DPND-PHENYLALANINEB,C,F,G2A1D0.71
DPND-PHENYLALANINEA,B2Q330.71
DPND-PHENYLALANINEC,H,L1DAN0.71
DPND-PHENYLALANINEP1MCE0.71
DPND-PHENYLALANINEB,C,E,F2A450.71
DPND-PHENYLALANINEA2RMI0.71
DPND-PHENYLALANINEA,B,I1TQ70.71
DPND-PHENYLALANINEA1W7M0.71
DPND-PHENYLALANINEP1HAP0.71
DPND-PHENYLALANINEA,B1ORF0.71
DPND-PHENYLALANINEI1IHS0.71
DPND-PHENYLALANINEP1MCC0.71
DPND-PHENYLALANINEA2RMD0.71
DPND-PHENYLALANINEA2JQB0.71
DPND-PHENYLALANINEI2HPQ0.71
DPND-PHENYLALANINEC,E,F1SHH0.71
DPND-PHENYLALANINEA,I1CVR0.71
DPND-PHENYLALANINEL,P1AUT0.71
DPND-PHENYLALANINEP1MCI0.71
DPND-PHENYLALANINEH,I3F6U0.71
DPND-PHENYLALANINEA1BFW0.71
DPND-PHENYLALANINEH,I1HAI0.71
DPND-PHENYLALANINEB,C2THF0.71
DPND-PHENYLALANINEI1IHT0.71
DPND-PHENYLALANINEA,P1MCJ0.71
DPND-PHENYLALANINEA1TKH0.71
DPND-PHENYLALANINEC,H,L,T2FIR0.71
DPND-PHENYLALANINEA2FMZ0.71
DPND-PHENYLALANINEA1YL90.71
DPND-PHENYLALANINEI1HUT0.71
DPND-PHENYLALANINEI1FXY0.71
DPND-PHENYLALANINEA1YL80.71
DPND-PHENYLALANINEC,H,L1QFK0.71
DPND-PHENYLALANINEP1MCB0.71
COCCOCAINEA,C1I7Z0.78
COCCOCAINEH1Q720.78
COCCOCAINEL2AJV0.78
COCCOCAINEA,B,C,D,E2PGZ0.78
NOLN-[(BENZYLOXY)CARBONYL]-O-(TERT-
BUTYL)-L-THREONYL-3-CYCLOHEXYL-
N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-
3-YL]METHYL}ETHYL]-L-ALANINAMIDE		A2GX40.73
RL2N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE		A1EWM0.72
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.78
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.78
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.78
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE		A2GG80.73
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL		A2F180.71
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		A,B,I,J1NH00.72
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		I1U8G0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.7
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.7
GB7(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)-
1-methylpyrrolidin-2-one		A3DDG0.71
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE		A,B2OP90.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL		A2F1A0.71
0E2N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R,2R)-2-hydroxy-1-{[(3R)-2-
oxopyrrolidin-3-yl]methyl}propyl]-
L-leucinamide		A2Z3C0.71
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE		A,F2W8F0.7
GB6(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-
2-one		A3DDF0.72
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide		A2QXI0.71
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide		A2QXH0.71
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide		A2QXJ0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.71
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUZ0.73
HPEHOMOPHENYLALANINEA,B1B1H0.71
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE		A2F380.74