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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03211009

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.74
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.76
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.7
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.71
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.71
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.71
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.71
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.71
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.71
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.76
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.74
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)
A1QF20.7
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
RRT(R)-RETRO-THIORPHANE1Z9G1
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.74
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.7
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.72
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.83
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.76
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
B1GM80.71
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,B1GM90.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.75
PHIIODO-PHENYLALANINEA1TF90.71
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.71
PHIIODO-PHENYLALANINEA1T6H0.71
PHIIODO-PHENYLALANINEA,B,C1NLU0.71
PHIIODO-PHENYLALANINEA,I1GA10.71
PHIIODO-PHENYLALANINEA,I1GA40.71
PHIIODO-PHENYLALANINEP1CZI0.71
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.73
BCSBENZYLCYSTEINEA,B,G,H10GS0.76
BCSBENZYLCYSTEINEA1EH80.76
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.71
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.76
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
A1W2N0.7
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
A1UNB0.7
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
A,B,C,D,E,F1KVO0.73
MP2N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINEA,B2FU90.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.76
DPND-PHENYLALANINEP1MCS0.73
DPND-PHENYLALANINEA1GOE0.73
DPND-PHENYLALANINEA2RM90.73
DPND-PHENYLALANINEA1SOC0.73
DPND-PHENYLALANINEB,C,E,F1SFQ0.73
DPND-PHENYLALANINEI1ABJ0.73
DPND-PHENYLALANINEP1DWE0.73
DPND-PHENYLALANINEI,M1HLT0.73
DPND-PHENYLALANINEA,H,L1J9C0.73
DPND-PHENYLALANINEI,T1TMB0.73
DPND-PHENYLALANINEA2JRY0.73
DPND-PHENYLALANINEA2SOC0.73
DPND-PHENYLALANINEA2YYF0.73
DPND-PHENYLALANINEI2HGT0.73
DPND-PHENYLALANINEA,D2Q3I0.73
DPND-PHENYLALANINEA,P1MCD0.73
DPND-PHENYLALANINEP1HAO0.73
DPND-PHENYLALANINEA,B,I1Z8J0.73
DPND-PHENYLALANINEA,B,C2PGQ0.73
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.73
DPND-PHENYLALANINEP1NRR0.73
DPND-PHENYLALANINEI1PPB0.73
DPND-PHENYLALANINEC,D,G,H1NU70.73
DPND-PHENYLALANINEI2HPP0.73
DPND-PHENYLALANINEB,C2OD30.73
DPND-PHENYLALANINEA1B0Q0.73
DPND-PHENYLALANINEB,C,E,F1NU90.73
DPND-PHENYLALANINEA,B,I1Z8I0.73
DPND-PHENYLALANINEH,I,J1TMU0.73
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.73
DPND-PHENYLALANINEA1GO90.73
DPND-PHENYLALANINEB,C,E,F1A0H0.73
DPND-PHENYLALANINEP1MCF0.73
DPND-PHENYLALANINEA2RME0.73
DPND-PHENYLALANINEH,I1TMT0.73
DPND-PHENYLALANINEI1ABI0.73
DPND-PHENYLALANINER1NRQ0.73
DPND-PHENYLALANINEB,C,F,G2A1D0.73
DPND-PHENYLALANINEA,B2Q330.73
DPND-PHENYLALANINEC,H,L1DAN0.73
DPND-PHENYLALANINEP1MCE0.73
DPND-PHENYLALANINEB,C,E,F2A450.73
DPND-PHENYLALANINEA2RMI0.73
DPND-PHENYLALANINEA,B,I1TQ70.73
DPND-PHENYLALANINEA1W7M0.73
DPND-PHENYLALANINEP1HAP0.73
DPND-PHENYLALANINEA,B1ORF0.73
DPND-PHENYLALANINEI1IHS0.73
DPND-PHENYLALANINEP1MCC0.73
DPND-PHENYLALANINEA2RMD0.73
DPND-PHENYLALANINEA2JQB0.73
DPND-PHENYLALANINEI2HPQ0.73
DPND-PHENYLALANINEC,E,F1SHH0.73
DPND-PHENYLALANINEA,I1CVR0.73
DPND-PHENYLALANINEL,P1AUT0.73
DPND-PHENYLALANINEP1MCI0.73
DPND-PHENYLALANINEH,I3F6U0.73
DPND-PHENYLALANINEA1BFW0.73
DPND-PHENYLALANINEH,I1HAI0.73
DPND-PHENYLALANINEB,C2THF0.73
DPND-PHENYLALANINEI1IHT0.73
DPND-PHENYLALANINEA,P1MCJ0.73
DPND-PHENYLALANINEA1TKH0.73
DPND-PHENYLALANINEC,H,L,T2FIR0.73
DPND-PHENYLALANINEA2FMZ0.73
DPND-PHENYLALANINEA1YL90.73
DPND-PHENYLALANINEI1HUT0.73
DPND-PHENYLALANINEI1FXY0.73
DPND-PHENYLALANINEA1YL80.73
DPND-PHENYLALANINEC,H,L1QFK0.73
DPND-PHENYLALANINEP1MCB0.73
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.79
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.7
PNNPENICILLIN GA,B1GM70.72
PNNPENICILLIN GB1FXV0.72
PNNPENICILLIN GA1UOF0.72
PNNPENICILLIN GA1UOB0.72
PNMOPEN FORM - PENICILLIN GA1GHP0.74
PNMOPEN FORM - PENICILLIN GA1PWC0.74
PNMOPEN FORM - PENICILLIN GA1IYQ0.74
PNMOPEN FORM - PENICILLIN GA1FQG0.74
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.74
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.74
PNMOPEN FORM - PENICILLIN GA2EX80.74
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.77
PG1PENICILLIN G ACYL-SERINEA,B1XA70.73
PG1PENICILLIN G ACYL-SERINEA2IWC0.73
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.75
SEBO-BENZYLSULFONYL-SERINEA1IAV0.75
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.75
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.75
SEBO-BENZYLSULFONYL-SERINEA1C9N0.75
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.75
SEBO-BENZYLSULFONYL-SERINEA1GGV0.75
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.75
SEBO-BENZYLSULFONYL-SERINEA1PQA0.75
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.75
SEBO-BENZYLSULFONYL-SERINEA1C9M0.75
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.71
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.75
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.77
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.74
4PH4-methyl-L-phenylalanineB,C3BV90.71
SH1N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-
N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-
1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE
U1W140.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.83
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.83
MY4(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-
PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
A2CNO0.74
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
FRFPHE-REDUCED-PHEA,I1GVX0.71
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
A2RDD0.7
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,D1NX90.7
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
A1H8S0.7
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
A2EX60.7
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.75
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.81
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.75
IOYP-IODO-D-PHENYLALANINEA1XBU0.71
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.7
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C8T0.72
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C3I0.72
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID
A,I2CNL0.71
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.73
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.75
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.74
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.74
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.72
MEAN-METHYLPHENYLALANINEA2PIL0.74
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.74
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.74
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.73
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.7
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.73
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.76
HPEHOMOPHENYLALANINEA,B1B1H0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71