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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02471017

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.73
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.76
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.72
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.74
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
1LPTRANYLCYPROMINEA,B1OJB0.76
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.72
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.71
DPND-PHENYLALANINEP1MCS0.7
DPND-PHENYLALANINEA1GOE0.7
DPND-PHENYLALANINEA2RM90.7
DPND-PHENYLALANINEA1SOC0.7
DPND-PHENYLALANINEB,C,E,F1SFQ0.7
DPND-PHENYLALANINEI1ABJ0.7
DPND-PHENYLALANINEP1DWE0.7
DPND-PHENYLALANINEI,M1HLT0.7
DPND-PHENYLALANINEA,H,L1J9C0.7
DPND-PHENYLALANINEI,T1TMB0.7
DPND-PHENYLALANINEA2JRY0.7
DPND-PHENYLALANINEA2SOC0.7
DPND-PHENYLALANINEA2YYF0.7
DPND-PHENYLALANINEI2HGT0.7
DPND-PHENYLALANINEA,D2Q3I0.7
DPND-PHENYLALANINEA,P1MCD0.7
DPND-PHENYLALANINEP1HAO0.7
DPND-PHENYLALANINEA,B,I1Z8J0.7
DPND-PHENYLALANINEA,B,C2PGQ0.7
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.7
DPND-PHENYLALANINEP1NRR0.7
DPND-PHENYLALANINEI1PPB0.7
DPND-PHENYLALANINEC,D,G,H1NU70.7
DPND-PHENYLALANINEI2HPP0.7
DPND-PHENYLALANINEB,C2OD30.7
DPND-PHENYLALANINEA1B0Q0.7
DPND-PHENYLALANINEB,C,E,F1NU90.7
DPND-PHENYLALANINEA,B,I1Z8I0.7
DPND-PHENYLALANINEH,I,J1TMU0.7
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.7
DPND-PHENYLALANINEA1GO90.7
DPND-PHENYLALANINEB,C,E,F1A0H0.7
DPND-PHENYLALANINEP1MCF0.7
DPND-PHENYLALANINEA2RME0.7
DPND-PHENYLALANINEH,I1TMT0.7
DPND-PHENYLALANINEI1ABI0.7
DPND-PHENYLALANINER1NRQ0.7
DPND-PHENYLALANINEB,C,F,G2A1D0.7
DPND-PHENYLALANINEA,B2Q330.7
DPND-PHENYLALANINEC,H,L1DAN0.7
DPND-PHENYLALANINEP1MCE0.7
DPND-PHENYLALANINEB,C,E,F2A450.7
DPND-PHENYLALANINEA2RMI0.7
DPND-PHENYLALANINEA,B,I1TQ70.7
DPND-PHENYLALANINEA1W7M0.7
DPND-PHENYLALANINEP1HAP0.7
DPND-PHENYLALANINEA,B1ORF0.7
DPND-PHENYLALANINEI1IHS0.7
DPND-PHENYLALANINEP1MCC0.7
DPND-PHENYLALANINEA2RMD0.7
DPND-PHENYLALANINEA2JQB0.7
DPND-PHENYLALANINEI2HPQ0.7
DPND-PHENYLALANINEC,E,F1SHH0.7
DPND-PHENYLALANINEA,I1CVR0.7
DPND-PHENYLALANINEL,P1AUT0.7
DPND-PHENYLALANINEP1MCI0.7
DPND-PHENYLALANINEH,I3F6U0.7
DPND-PHENYLALANINEA1BFW0.7
DPND-PHENYLALANINEH,I1HAI0.7
DPND-PHENYLALANINEB,C2THF0.7
DPND-PHENYLALANINEI1IHT0.7
DPND-PHENYLALANINEA,P1MCJ0.7
DPND-PHENYLALANINEA1TKH0.7
DPND-PHENYLALANINEC,H,L,T2FIR0.7
DPND-PHENYLALANINEA2FMZ0.7
DPND-PHENYLALANINEA1YL90.7
DPND-PHENYLALANINEI1HUT0.7
DPND-PHENYLALANINEI1FXY0.7
DPND-PHENYLALANINEA1YL80.7
DPND-PHENYLALANINEC,H,L1QFK0.7
DPND-PHENYLALANINEP1MCB0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.7
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
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.81
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.81
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.81
NFAPHENYLALANINE AMIDEA2A4O0.81
NFAPHENYLALANINE AMIDEA,B1XAE0.81
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.81
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.81
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.81
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.71
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.71
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.71
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.71
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z
1QZV0.71
VK3MENADIONEA1TUV0.71
VK3MENADIONEA,B2QR20.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.74
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.74
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.73
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.73
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
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
HPEHOMOPHENYLALANINEA,B1B1H0.7
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.74
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.8
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.71
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.78
PHMPHENYLALANYLMETHANEA,B,C2J9J0.78
PHMPHENYLALANYLMETHANEA,B,C2JE40.78
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
PHAPHENYLALANINALA,B1OB20.77
PHAPHENYLALANINALV,Y,Z2WDG0.77
PHAPHENYLALANINALV,Y,Z2WDK0.77
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.77
PHAPHENYLALANINALP3SGA0.77
PHAPHENYLALANINALA,B,C,D,E,F1OB50.77
PHAPHENYLALANINALV,Y,Z2WDM0.77
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.77
PHAPHENYLALANINALA,B1KDV0.77
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.77
PHAPHENYLALANINALA,B1KDY0.77
PHAPHENYLALANINALV,Y,Z3FIC0.77
PHAPHENYLALANINALV,Y,Z2WDH0.77
PHAPHENYLALANINALA,B1KE20.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.85
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.85
3PL3-PHENYLPROPANALE1Y3G0.74
NPYNAPHTHALENEA,B1O7G0.71