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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03698618

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.78
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.78
HPEHOMOPHENYLALANINEA,B1B1H0.74
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.78
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
A1R1H0.74
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
L3B7R0.74
IOYP-IODO-D-PHENYLALANINEA1XBU0.72
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.72
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.74
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.72
SEBO-BENZYLSULFONYL-SERINEA1IAV0.72
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.72
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.72
SEBO-BENZYLSULFONYL-SERINEA1C9N0.72
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.72
SEBO-BENZYLSULFONYL-SERINEA1GGV0.72
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.72
SEBO-BENZYLSULFONYL-SERINEA1PQA0.72
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.72
SEBO-BENZYLSULFONYL-SERINEA1C9M0.72
R99N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWL0.72
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE
A2BAN0.74
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.76
S2DN-BENZOYL-D-ALANINEA,B2JCI0.87
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine
A,B3CHD0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.81
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.7
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
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.8
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.77
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.8
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.8
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.8
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.8
MEAN-METHYLPHENYLALANINEA2PIL0.79
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.79
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.79
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.75
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
N1MMJ0.72
RRT(R)-RETRO-THIORPHANE1Z9G0.77
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.72
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.71
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.76
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.73
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.76
DPND-PHENYLALANINEP1MCS0.74
DPND-PHENYLALANINEA1GOE0.74
DPND-PHENYLALANINEA2RM90.74
DPND-PHENYLALANINEA1SOC0.74
DPND-PHENYLALANINEB,C,E,F1SFQ0.74
DPND-PHENYLALANINEI1ABJ0.74
DPND-PHENYLALANINEP1DWE0.74
DPND-PHENYLALANINEI,M1HLT0.74
DPND-PHENYLALANINEA,H,L1J9C0.74
DPND-PHENYLALANINEI,T1TMB0.74
DPND-PHENYLALANINEA2JRY0.74
DPND-PHENYLALANINEA2SOC0.74
DPND-PHENYLALANINEA2YYF0.74
DPND-PHENYLALANINEI2HGT0.74
DPND-PHENYLALANINEA,D2Q3I0.74
DPND-PHENYLALANINEA,P1MCD0.74
DPND-PHENYLALANINEP1HAO0.74
DPND-PHENYLALANINEA,B,I1Z8J0.74
DPND-PHENYLALANINEA,B,C2PGQ0.74
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.74
DPND-PHENYLALANINEP1NRR0.74
DPND-PHENYLALANINEI1PPB0.74
DPND-PHENYLALANINEC,D,G,H1NU70.74
DPND-PHENYLALANINEI2HPP0.74
DPND-PHENYLALANINEB,C2OD30.74
DPND-PHENYLALANINEA1B0Q0.74
DPND-PHENYLALANINEB,C,E,F1NU90.74
DPND-PHENYLALANINEA,B,I1Z8I0.74
DPND-PHENYLALANINEH,I,J1TMU0.74
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.74
DPND-PHENYLALANINEA1GO90.74
DPND-PHENYLALANINEB,C,E,F1A0H0.74
DPND-PHENYLALANINEP1MCF0.74
DPND-PHENYLALANINEA2RME0.74
DPND-PHENYLALANINEH,I1TMT0.74
DPND-PHENYLALANINEI1ABI0.74
DPND-PHENYLALANINER1NRQ0.74
DPND-PHENYLALANINEB,C,F,G2A1D0.74
DPND-PHENYLALANINEA,B2Q330.74
DPND-PHENYLALANINEC,H,L1DAN0.74
DPND-PHENYLALANINEP1MCE0.74
DPND-PHENYLALANINEB,C,E,F2A450.74
DPND-PHENYLALANINEA2RMI0.74
DPND-PHENYLALANINEA,B,I1TQ70.74
DPND-PHENYLALANINEA1W7M0.74
DPND-PHENYLALANINEP1HAP0.74
DPND-PHENYLALANINEA,B1ORF0.74
DPND-PHENYLALANINEI1IHS0.74
DPND-PHENYLALANINEP1MCC0.74
DPND-PHENYLALANINEA2RMD0.74
DPND-PHENYLALANINEA2JQB0.74
DPND-PHENYLALANINEI2HPQ0.74
DPND-PHENYLALANINEC,E,F1SHH0.74
DPND-PHENYLALANINEA,I1CVR0.74
DPND-PHENYLALANINEL,P1AUT0.74
DPND-PHENYLALANINEP1MCI0.74
DPND-PHENYLALANINEH,I3F6U0.74
DPND-PHENYLALANINEA1BFW0.74
DPND-PHENYLALANINEH,I1HAI0.74
DPND-PHENYLALANINEB,C2THF0.74
DPND-PHENYLALANINEI1IHT0.74
DPND-PHENYLALANINEA,P1MCJ0.74
DPND-PHENYLALANINEA1TKH0.74
DPND-PHENYLALANINEC,H,L,T2FIR0.74
DPND-PHENYLALANINEA2FMZ0.74
DPND-PHENYLALANINEA1YL90.74
DPND-PHENYLALANINEI1HUT0.74
DPND-PHENYLALANINEI1FXY0.74
DPND-PHENYLALANINEA1YL80.74
DPND-PHENYLALANINEC,H,L1QFK0.74
DPND-PHENYLALANINEP1MCB0.74
0A9methyl L-phenylalaninateA1AY20.7
0A9methyl L-phenylalaninateI5ER10.7
0A9methyl L-phenylalaninateI,P1HDT0.7
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.74
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.75
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.71
BCSBENZYLCYSTEINEA,B,G,H10GS0.76
BCSBENZYLCYSTEINEA1EH80.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.74
FRFPHE-REDUCED-PHEA,I1GVX0.74
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.7
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.74
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.71
MP2N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINEA,B2FU90.71
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1SIV0.7
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1AAQ0.7
X9Q{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETIC ACID
A2HGD0.73
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.75
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.75
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID
A,I2CNL0.72
TTXTENTOXINB1KMH0.76
4PH4-methyl-L-phenylalanineB,C3BV90.74
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.7
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.7
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.78
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.78
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.71
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.75
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.74
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.7
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.76
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.74
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.71
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.76
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.72
MY5{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-
1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNN0.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.72
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.72
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.72
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.72
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.72
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.72
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.74
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.7
RL2N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWM0.72
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.72
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.74
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.74
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.74
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.74
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.73
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.73
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.78
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.75
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.75
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.7
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.74
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.79
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.74
HU2(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-
ISOPROPYL-7-METHYLOCT-4-ENOYL]-
L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2OC10.71
MY4(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-
PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
A2CNO0.72
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
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
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.79
APD3-METHYLPHENYLALANINEA,B,C1GMY0.74
PHIIODO-PHENYLALANINEA1TF90.72
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.72
PHIIODO-PHENYLALANINEA1T6H0.72
PHIIODO-PHENYLALANINEA,B,C1NLU0.72
PHIIODO-PHENYLALANINEA,I1GA10.72
PHIIODO-PHENYLALANINEA,I1GA40.72
PHIIODO-PHENYLALANINEP1CZI0.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72
LGGN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-
L-GLUTAMINYL-N-[(1S)-4-AMINO-1-
(2-CARBOXYETHYL)-4-OXOBUTYL]-L-
LEUCINAMIDE
A,B2IPH0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71