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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02853628

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
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
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.91
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.91
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.83
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
BZZBENZYLHYDRAZINEA,B2E2V0.85
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
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
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.79
CPUA,B1CR60.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.87
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.87
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.77
N4BN-BUTYLBENZENEA186L0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.83
PEA2-PHENYLETHYLAMINEA1TNJ0.83
PEA2-PHENYLETHYLAMINED,H2HKM0.83
PEA2-PHENYLETHYLAMINEA1UTO0.83
PEA2-PHENYLETHYLAMINEA,B1D6Y0.83
PEA2-PHENYLETHYLAMINEA,B1D6Z0.83
PEA2-PHENYLETHYLAMINEA,B1D6U0.83
PEA2-PHENYLETHYLAMINEA1UTM0.83
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
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
PHAPHENYLALANINALA,B1OB20.73
PHAPHENYLALANINALV,Y,Z2WDG0.73
PHAPHENYLALANINALV,Y,Z2WDK0.73
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.73
PHAPHENYLALANINALP3SGA0.73
PHAPHENYLALANINALA,B,C,D,E,F1OB50.73
PHAPHENYLALANINALV,Y,Z2WDM0.73
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.73
PHAPHENYLALANINALA,B1KDV0.73
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.73
PHAPHENYLALANINALA,B1KDY0.73
PHAPHENYLALANINALV,Y,Z3FIC0.73
PHAPHENYLALANINALV,Y,Z2WDH0.73
PHAPHENYLALANINALA,B1KE20.73
271N-methyl-1-phenylmethanamineX2RBT0.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
I4BISOBUTYLBENZENEA184L0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.79
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.87
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.87
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.87
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.87
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.73
PHLL-PHENYLALANINOLA,B1JOH0.73
PHLL-PHENYLALANINOLI3APR0.73
PHLL-PHENYLALANINOLA1DLZ0.73
PHLL-PHENYLALANINOLA1IH90.73
PHLL-PHENYLALANINOLA1OB40.73
PHLL-PHENYLALANINOLI2ER60.73
PHLL-PHENYLALANINOLA1R9U0.73
PHLL-PHENYLALANINOLA1OB70.73
PHLL-PHENYLALANINOLA,B1OB60.73
PHLL-PHENYLALANINOLA,B,C1AMT0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.74
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.74
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.74
NFAPHENYLALANINE AMIDEA2A4O0.74
NFAPHENYLALANINE AMIDEA,B1XAE0.74
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.74
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.74
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.74
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.72
FPRPROPYLBENZENEC1RHK0.71
DPKDEPRENYLA,B2BYB0.77
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
PBN4-PHENYLBUTYLAMINEA1TNI0.84
PBN4-PHENYLBUTYLAMINEA1UTP0.84
PRA3-PHENYLPROPYLAMINEA1TNK0.84
PRA3-PHENYLPROPYLAMINEM1UTL0.84
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
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71