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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02345756

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.76
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.77
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.99
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.99
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.99
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.85
PEA2-PHENYLETHYLAMINEA1TNJ0.85
PEA2-PHENYLETHYLAMINED,H2HKM0.85
PEA2-PHENYLETHYLAMINEA1UTO0.85
PEA2-PHENYLETHYLAMINEA,B1D6Y0.85
PEA2-PHENYLETHYLAMINEA,B1D6Z0.85
PEA2-PHENYLETHYLAMINEA,B1D6U0.85
PEA2-PHENYLETHYLAMINEA1UTM0.85
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.82
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.82
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.75
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
DPKDEPRENYLA,B2BYB0.71
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
BDBA,B1KE30.7
HPHPHENYLALANINDIOLI1E5O0.73
HPHPHENYLALANINDIOLA,B1ODX0.73
HPHPHENYLALANINDIOLA,B1MTB0.73
HPHPHENYLALANINDIOLA,B2FGV0.73
HPHPHENYLALANINDIOLA1ODW0.73
HPHPHENYLALANINDIOLA,B2FGU0.73
HPHPHENYLALANINDIOLA,B1HXB0.73
N4BN-BUTYLBENZENEA186L0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.89
B2FPHENYLALANINE BORONIC ACIDA,P1P060.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.89
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.89
BZZBENZYLHYDRAZINEA,B2E2V0.72
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.7
PRA3-PHENYLPROPYLAMINEA1TNK0.86
PRA3-PHENYLPROPYLAMINEM1UTL0.86
PBN4-PHENYLBUTYLAMINEA1TNI0.86
PBN4-PHENYLBUTYLAMINEA1UTP0.86
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.7
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.7
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.7
271N-methyl-1-phenylmethanamineX2RBT0.74
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.72
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.72
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.72
NFAPHENYLALANINE AMIDEA2A4O0.72
NFAPHENYLALANINE AMIDEA,B1XAE0.72
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.72
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.72
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.72
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.78
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.78
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.77
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.81
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.81
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.82
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.82
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.82
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.82
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.82
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.74
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
FPRPROPYLBENZENEC1RHK0.71
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.7
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.71
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.85
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.73
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.8
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.78
PHLL-PHENYLALANINOLA,B1JOH0.74
PHLL-PHENYLALANINOLI3APR0.74
PHLL-PHENYLALANINOLA1DLZ0.74
PHLL-PHENYLALANINOLA1IH90.74
PHLL-PHENYLALANINOLA1OB40.74
PHLL-PHENYLALANINOLI2ER60.74
PHLL-PHENYLALANINOLA1R9U0.74
PHLL-PHENYLALANINOLA1OB70.74
PHLL-PHENYLALANINOLA,B1OB60.74
PHLL-PHENYLALANINOLA,B,C1AMT0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71