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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01781706

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPEHOMOPHENYLALANINEA,B1B1H0.74
0A9methyl L-phenylalaninateA1AY20.75
0A9methyl L-phenylalaninateI5ER10.75
0A9methyl L-phenylalaninateI,P1HDT0.75
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.72
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.72
PG9D-PHENYLGLYCINEA,B,G,H10GS0.78
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.78
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.74
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.77
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
PHAPHENYLALANINALA,B1OB20.83
PHAPHENYLALANINALV,Y,Z2WDG0.83
PHAPHENYLALANINALV,Y,Z2WDK0.83
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.83
PHAPHENYLALANINALP3SGA0.83
PHAPHENYLALANINALA,B,C,D,E,F1OB50.83
PHAPHENYLALANINALV,Y,Z2WDM0.83
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.83
PHAPHENYLALANINALA,B1KDV0.83
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.83
PHAPHENYLALANINALA,B1KDY0.83
PHAPHENYLALANINALV,Y,Z3FIC0.83
PHAPHENYLALANINALV,Y,Z2WDH0.83
PHAPHENYLALANINALA,B1KE20.83
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.83
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.83
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.83
NFAPHENYLALANINE AMIDEA2A4O0.83
NFAPHENYLALANINE AMIDEA,B1XAE0.83
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.83
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.83
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.83
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.73
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
4PH4-methyl-L-phenylalanineB,C3BV90.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.76
BHOBENZHYDROXAMIC ACIDA,B1GX20.72
BHOBENZHYDROXAMIC ACIDA1HSR0.72
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.72
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.72
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.72
BHOBENZHYDROXAMIC ACIDA3GCK0.72
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.72
271N-methyl-1-phenylmethanamineX2RBT0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
IOYP-IODO-D-PHENYLALANINEA1XBU0.73
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
DPND-PHENYLALANINEP1MCS0.75
DPND-PHENYLALANINEA1GOE0.75
DPND-PHENYLALANINEA2RM90.75
DPND-PHENYLALANINEA1SOC0.75
DPND-PHENYLALANINEB,C,E,F1SFQ0.75
DPND-PHENYLALANINEI1ABJ0.75
DPND-PHENYLALANINEP1DWE0.75
DPND-PHENYLALANINEI,M1HLT0.75
DPND-PHENYLALANINEA,H,L1J9C0.75
DPND-PHENYLALANINEI,T1TMB0.75
DPND-PHENYLALANINEA2JRY0.75
DPND-PHENYLALANINEA2SOC0.75
DPND-PHENYLALANINEA2YYF0.75
DPND-PHENYLALANINEI2HGT0.75
DPND-PHENYLALANINEA,D2Q3I0.75
DPND-PHENYLALANINEA,P1MCD0.75
DPND-PHENYLALANINEP1HAO0.75
DPND-PHENYLALANINEA,B,I1Z8J0.75
DPND-PHENYLALANINEA,B,C2PGQ0.75
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.75
DPND-PHENYLALANINEP1NRR0.75
DPND-PHENYLALANINEI1PPB0.75
DPND-PHENYLALANINEC,D,G,H1NU70.75
DPND-PHENYLALANINEI2HPP0.75
DPND-PHENYLALANINEB,C2OD30.75
DPND-PHENYLALANINEA1B0Q0.75
DPND-PHENYLALANINEB,C,E,F1NU90.75
DPND-PHENYLALANINEA,B,I1Z8I0.75
DPND-PHENYLALANINEH,I,J1TMU0.75
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.75
DPND-PHENYLALANINEA1GO90.75
DPND-PHENYLALANINEB,C,E,F1A0H0.75
DPND-PHENYLALANINEP1MCF0.75
DPND-PHENYLALANINEA2RME0.75
DPND-PHENYLALANINEH,I1TMT0.75
DPND-PHENYLALANINEI1ABI0.75
DPND-PHENYLALANINER1NRQ0.75
DPND-PHENYLALANINEB,C,F,G2A1D0.75
DPND-PHENYLALANINEA,B2Q330.75
DPND-PHENYLALANINEC,H,L1DAN0.75
DPND-PHENYLALANINEP1MCE0.75
DPND-PHENYLALANINEB,C,E,F2A450.75
DPND-PHENYLALANINEA2RMI0.75
DPND-PHENYLALANINEA,B,I1TQ70.75
DPND-PHENYLALANINEA1W7M0.75
DPND-PHENYLALANINEP1HAP0.75
DPND-PHENYLALANINEA,B1ORF0.75
DPND-PHENYLALANINEI1IHS0.75
DPND-PHENYLALANINEP1MCC0.75
DPND-PHENYLALANINEA2RMD0.75
DPND-PHENYLALANINEA2JQB0.75
DPND-PHENYLALANINEI2HPQ0.75
DPND-PHENYLALANINEC,E,F1SHH0.75
DPND-PHENYLALANINEA,I1CVR0.75
DPND-PHENYLALANINEL,P1AUT0.75
DPND-PHENYLALANINEP1MCI0.75
DPND-PHENYLALANINEH,I3F6U0.75
DPND-PHENYLALANINEA1BFW0.75
DPND-PHENYLALANINEH,I1HAI0.75
DPND-PHENYLALANINEB,C2THF0.75
DPND-PHENYLALANINEI1IHT0.75
DPND-PHENYLALANINEA,P1MCJ0.75
DPND-PHENYLALANINEA1TKH0.75
DPND-PHENYLALANINEC,H,L,T2FIR0.75
DPND-PHENYLALANINEA2FMZ0.75
DPND-PHENYLALANINEA1YL90.75
DPND-PHENYLALANINEI1HUT0.75
DPND-PHENYLALANINEI1FXY0.75
DPND-PHENYLALANINEA1YL80.75
DPND-PHENYLALANINEC,H,L1QFK0.75
DPND-PHENYLALANINEP1MCB0.75
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.76
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.87
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.87
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.76
PHIIODO-PHENYLALANINEA1TF90.73
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.73
PHIIODO-PHENYLALANINEA1T6H0.73
PHIIODO-PHENYLALANINEA,B,C1NLU0.73
PHIIODO-PHENYLALANINEA,I1GA10.73
PHIIODO-PHENYLALANINEA,I1GA40.73
PHIIODO-PHENYLALANINEP1CZI0.73
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.82
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
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.76
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
PHMPHENYLALANYLMETHANEA,I1PJP0.84
PHMPHENYLALANYLMETHANEA,B,C2J9J0.84
PHMPHENYLALANYLMETHANEA,B,C2JE40.84
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.71
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
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.73
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.73
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.73
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.73
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.73
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.73
APD3-METHYLPHENYLALANINEA,B,C1GMY0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.74
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.74
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.74