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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02277414

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPEHOMOPHENYLALANINEA,B1B1H0.74
IOYP-IODO-D-PHENYLALANINEA1XBU0.72
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.74
3AB3-aminobenzamideA,B,C,D3GOY0.72
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
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.76
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.77
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
PHAPHENYLALANINALA,B1OB20.82
PHAPHENYLALANINALV,Y,Z2WDG0.82
PHAPHENYLALANINALV,Y,Z2WDK0.82
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.82
PHAPHENYLALANINALP3SGA0.82
PHAPHENYLALANINALA,B,C,D,E,F1OB50.82
PHAPHENYLALANINALV,Y,Z2WDM0.82
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.82
PHAPHENYLALANINALA,B1KDV0.82
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.82
PHAPHENYLALANINALA,B1KDY0.82
PHAPHENYLALANINALV,Y,Z3FIC0.82
PHAPHENYLALANINALV,Y,Z2WDH0.82
PHAPHENYLALANINALA,B1KE20.82
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.77
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.77
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
PHMPHENYLALANYLMETHANEA,I1PJP0.83
PHMPHENYLALANYLMETHANEA,B,C2J9J0.83
PHMPHENYLALANYLMETHANEA,B,C2JE40.83
PBN4-PHENYLBUTYLAMINEA1TNI0.79
PBN4-PHENYLBUTYLAMINEA1UTP0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.78
B2FPHENYLALANINE BORONIC ACIDA,P1P060.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.78
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.78
PRA3-PHENYLPROPYLAMINEA1TNK0.79
PRA3-PHENYLPROPYLAMINEM1UTL0.79
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.71
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
3PL3-PHENYLPROPANALE1Y3G0.79
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.87
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.87
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.87
NFAPHENYLALANINE AMIDEA2A4O0.87
NFAPHENYLALANINE AMIDEA,B1XAE0.87
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.87
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.87
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.87
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
AC01-PHENYLETHANONEA1ZK10.75
AC01-PHENYLETHANONEA1ZK40.75
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
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
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.86
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.7
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.73
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.78
PEA2-PHENYLETHYLAMINEA1TNJ0.78
PEA2-PHENYLETHYLAMINED,H2HKM0.78
PEA2-PHENYLETHYLAMINEA1UTO0.78
PEA2-PHENYLETHYLAMINEA,B1D6Y0.78
PEA2-PHENYLETHYLAMINEA,B1D6Z0.78
PEA2-PHENYLETHYLAMINEA,B1D6U0.78
PEA2-PHENYLETHYLAMINEA1UTM0.78
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.74
N4BN-BUTYLBENZENEA186L0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
4PH4-methyl-L-phenylalanineB,C3BV90.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.79
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.79
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
BZQDIPHENYLMETHANONEA,B1GT50.74
BZQDIPHENYLMETHANONEA,B1DZP0.74
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.79
1LPTRANYLCYPROMINEA,B1OJB0.77
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.71
I4BISOBUTYLBENZENEA184L0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
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
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.7
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.74
STF(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-
1,3-THIAZOL-4-ONE
A2EXG0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.75
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.78
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.78
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.7
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.75
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
BHOBENZHYDROXAMIC ACIDA,B1GX20.76
BHOBENZHYDROXAMIC ACIDA1HSR0.76
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.76
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.76
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.76
BHOBENZHYDROXAMIC ACIDA3GCK0.76
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.76
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.7
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
FPRPROPYLBENZENEC1RHK0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
HBXbenzaldehydeA,B3GDN0.7
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.74
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.72
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