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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02215660

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.85
0A9methyl L-phenylalaninateA1AY20.75
0A9methyl L-phenylalaninateI5ER10.75
0A9methyl L-phenylalaninateI,P1HDT0.75
PG9D-PHENYLGLYCINEA,B,G,H10GS0.7
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.76
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.76
PXYPARA-XYLENEA187L0.7
PXYPARA-XYLENEA225L0.7
FPRPROPYLBENZENEC1RHK0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
MEAN-METHYLPHENYLALANINEA2PIL0.71
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.71
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.81
PBN4-PHENYLBUTYLAMINEA1UTP0.81
PRA3-PHENYLPROPYLAMINEA1TNK0.81
PRA3-PHENYLPROPYLAMINEM1UTL0.81
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.78
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.78
HCIHYDROCINNAMIC ACIDA,B1BXG0.74
HCIHYDROCINNAMIC ACIDA,B1TOG0.74
HCIHYDROCINNAMIC ACIDA,B1V2F0.74
HCIHYDROCINNAMIC ACIDA,B1AHX0.74
HCIHYDROCINNAMIC ACIDA1TOI0.74
HCIHYDROCINNAMIC ACIDA,B1AY80.74
HCIHYDROCINNAMIC ACIDA1TOJ0.74
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.73
AC01-PHENYLETHANONEA1ZK10.77
AC01-PHENYLETHANONEA1ZK40.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.73
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.73
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
IOYP-IODO-D-PHENYLALANINEA1XBU0.74
3AB3-aminobenzamideA,B,C,D3GOY0.74
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
BHOBENZHYDROXAMIC ACIDA,B1GX20.78
BHOBENZHYDROXAMIC ACIDA1HSR0.78
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.78
BHOBENZHYDROXAMIC ACIDA3GCK0.78
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.78
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
3PL3-PHENYLPROPANALE1Y3G0.82
4PH4-methyl-L-phenylalanineB,C3BV90.74
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
PHLL-PHENYLALANINOLA,B1JOH0.7
PHLL-PHENYLALANINOLI3APR0.7
PHLL-PHENYLALANINOLA1DLZ0.7
PHLL-PHENYLALANINOLA1IH90.7
PHLL-PHENYLALANINOLA1OB40.7
PHLL-PHENYLALANINOLI2ER60.7
PHLL-PHENYLALANINOLA1R9U0.7
PHLL-PHENYLALANINOLA1OB70.7
PHLL-PHENYLALANINOLA,B1OB60.7
PHLL-PHENYLALANINOLA,B,C1AMT0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.79
B2FPHENYLALANINE BORONIC ACIDA,P1P060.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.79
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.79
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
BZQDIPHENYLMETHANONEA,B1GT50.74
BZQDIPHENYLMETHANONEA,B1DZP0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.85
PHMPHENYLALANYLMETHANEA,B,C2J9J0.85
PHMPHENYLALANYLMETHANEA,B,C2JE40.85
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.76
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.81
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.7
1LPTRANYLCYPROMINEA,B1OJB0.77
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.71
I4BISOBUTYLBENZENEA184L0.71
PHAPHENYLALANINALA,B1OB20.84
PHAPHENYLALANINALV,Y,Z2WDG0.84
PHAPHENYLALANINALV,Y,Z2WDK0.84
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.84
PHAPHENYLALANINALP3SGA0.84
PHAPHENYLALANINALA,B,C,D,E,F1OB50.84
PHAPHENYLALANINALV,Y,Z2WDM0.84
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.84
PHAPHENYLALANINALA,B1KDV0.84
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.84
PHAPHENYLALANINALA,B1KDY0.84
PHAPHENYLALANINALV,Y,Z3FIC0.84
PHAPHENYLALANINALV,Y,Z2WDH0.84
PHAPHENYLALANINALA,B1KE20.84
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.7
PHIIODO-PHENYLALANINEA1TF90.74
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.74
PHIIODO-PHENYLALANINEA1T6H0.74
PHIIODO-PHENYLALANINEA,B,C1NLU0.74
PHIIODO-PHENYLALANINEA,I1GA10.74
PHIIODO-PHENYLALANINEA,I1GA40.74
PHIIODO-PHENYLALANINEP1CZI0.74
DPND-PHENYLALANINEP1MCS0.76
DPND-PHENYLALANINEA1GOE0.76
DPND-PHENYLALANINEA2RM90.76
DPND-PHENYLALANINEA1SOC0.76
DPND-PHENYLALANINEB,C,E,F1SFQ0.76
DPND-PHENYLALANINEI1ABJ0.76
DPND-PHENYLALANINEP1DWE0.76
DPND-PHENYLALANINEI,M1HLT0.76
DPND-PHENYLALANINEA,H,L1J9C0.76
DPND-PHENYLALANINEI,T1TMB0.76
DPND-PHENYLALANINEA2JRY0.76
DPND-PHENYLALANINEA2SOC0.76
DPND-PHENYLALANINEA2YYF0.76
DPND-PHENYLALANINEI2HGT0.76
DPND-PHENYLALANINEA,D2Q3I0.76
DPND-PHENYLALANINEA,P1MCD0.76
DPND-PHENYLALANINEP1HAO0.76
DPND-PHENYLALANINEA,B,I1Z8J0.76
DPND-PHENYLALANINEA,B,C2PGQ0.76
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.76
DPND-PHENYLALANINEP1NRR0.76
DPND-PHENYLALANINEI1PPB0.76
DPND-PHENYLALANINEC,D,G,H1NU70.76
DPND-PHENYLALANINEI2HPP0.76
DPND-PHENYLALANINEB,C2OD30.76
DPND-PHENYLALANINEA1B0Q0.76
DPND-PHENYLALANINEB,C,E,F1NU90.76
DPND-PHENYLALANINEA,B,I1Z8I0.76
DPND-PHENYLALANINEH,I,J1TMU0.76
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.76
DPND-PHENYLALANINEA1GO90.76
DPND-PHENYLALANINEB,C,E,F1A0H0.76
DPND-PHENYLALANINEP1MCF0.76
DPND-PHENYLALANINEA2RME0.76
DPND-PHENYLALANINEH,I1TMT0.76
DPND-PHENYLALANINEI1ABI0.76
DPND-PHENYLALANINER1NRQ0.76
DPND-PHENYLALANINEB,C,F,G2A1D0.76
DPND-PHENYLALANINEA,B2Q330.76
DPND-PHENYLALANINEC,H,L1DAN0.76
DPND-PHENYLALANINEP1MCE0.76
DPND-PHENYLALANINEB,C,E,F2A450.76
DPND-PHENYLALANINEA2RMI0.76
DPND-PHENYLALANINEA,B,I1TQ70.76
DPND-PHENYLALANINEA1W7M0.76
DPND-PHENYLALANINEP1HAP0.76
DPND-PHENYLALANINEA,B1ORF0.76
DPND-PHENYLALANINEI1IHS0.76
DPND-PHENYLALANINEP1MCC0.76
DPND-PHENYLALANINEA2RMD0.76
DPND-PHENYLALANINEA2JQB0.76
DPND-PHENYLALANINEI2HPQ0.76
DPND-PHENYLALANINEC,E,F1SHH0.76
DPND-PHENYLALANINEA,I1CVR0.76
DPND-PHENYLALANINEL,P1AUT0.76
DPND-PHENYLALANINEP1MCI0.76
DPND-PHENYLALANINEH,I3F6U0.76
DPND-PHENYLALANINEA1BFW0.76
DPND-PHENYLALANINEH,I1HAI0.76
DPND-PHENYLALANINEB,C2THF0.76
DPND-PHENYLALANINEI1IHT0.76
DPND-PHENYLALANINEA,P1MCJ0.76
DPND-PHENYLALANINEA1TKH0.76
DPND-PHENYLALANINEC,H,L,T2FIR0.76
DPND-PHENYLALANINEA2FMZ0.76
DPND-PHENYLALANINEA1YL90.76
DPND-PHENYLALANINEI1HUT0.76
DPND-PHENYLALANINEI1FXY0.76
DPND-PHENYLALANINEA1YL80.76
DPND-PHENYLALANINEC,H,L1QFK0.76
DPND-PHENYLALANINEP1MCB0.76
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.71
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.79
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.79
STF(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-
1,3-THIAZOL-4-ONE
A2EXG0.72
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.8
PEA2-PHENYLETHYLAMINEA1TNJ0.8
PEA2-PHENYLETHYLAMINED,H2HKM0.8
PEA2-PHENYLETHYLAMINEA1UTO0.8
PEA2-PHENYLETHYLAMINEA,B1D6Y0.8
PEA2-PHENYLETHYLAMINEA,B1D6Z0.8
PEA2-PHENYLETHYLAMINEA,B1D6U0.8
PEA2-PHENYLETHYLAMINEA1UTM0.8
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
N4BN-BUTYLBENZENEA186L0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.78
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.78
HY1PHENYLACETALDEHYDED,H2I0S0.81
HY1PHENYLACETALDEHYDEA,B1D6Y0.81
HY1PHENYLACETALDEHYDEA,B1D6Z0.81
HY1PHENYLACETALDEHYDED,H2OK40.81
HY1PHENYLACETALDEHYDEA,B1D6U0.81
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.75
HBXbenzaldehydeA,B3GDN0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.74
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.74
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.74
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.74
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.74
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
APD3-METHYLPHENYLALANINEA,B,C1GMY0.74
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.74
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.76
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.89
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.89
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.89
NFAPHENYLALANINE AMIDEA2A4O0.89
NFAPHENYLALANINE AMIDEA,B1XAE0.89
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.89
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.89
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.89
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.71
HPEHOMOPHENYLALANINEA,B1B1H0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77