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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03215983

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.7
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.71
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
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
PRA3-PHENYLPROPYLAMINEA1TNK0.8
PRA3-PHENYLPROPYLAMINEM1UTL0.8
PBN4-PHENYLBUTYLAMINEA1TNI0.8
PBN4-PHENYLBUTYLAMINEA1UTP0.8
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.72
PHAPHENYLALANINALA,B1OB20.75
PHAPHENYLALANINALV,Y,Z2WDG0.75
PHAPHENYLALANINALV,Y,Z2WDK0.75
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.75
PHAPHENYLALANINALP3SGA0.75
PHAPHENYLALANINALA,B,C,D,E,F1OB50.75
PHAPHENYLALANINALV,Y,Z2WDM0.75
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.75
PHAPHENYLALANINALA,B1KDV0.75
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.75
PHAPHENYLALANINALA,B1KDY0.75
PHAPHENYLALANINALV,Y,Z3FIC0.75
PHAPHENYLALANINALV,Y,Z2WDH0.75
PHAPHENYLALANINALA,B1KE20.75
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
BZZBENZYLHYDRAZINEA,B2E2V0.83
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.75
271N-methyl-1-phenylmethanamineX2RBT0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
CPUA,B1CR60.71
PHMPHENYLALANYLMETHANEA,I1PJP0.78
PHMPHENYLALANYLMETHANEA,B,C2J9J0.78
PHMPHENYLALANYLMETHANEA,B,C2JE40.78
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.76
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.8
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.81
PEA2-PHENYLETHYLAMINEA1TNJ0.81
PEA2-PHENYLETHYLAMINED,H2HKM0.81
PEA2-PHENYLETHYLAMINEA1UTO0.81
PEA2-PHENYLETHYLAMINEA,B1D6Y0.81
PEA2-PHENYLETHYLAMINEA,B1D6Z0.81
PEA2-PHENYLETHYLAMINEA,B1D6U0.81
PEA2-PHENYLETHYLAMINEA1UTM0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.8
B2FPHENYLALANINE BORONIC ACIDA,P1P060.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.8
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.8