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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02855574

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
DPKDEPRENYLA,B2BYB0.8
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.81
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.79
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.79
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.79
NFAPHENYLALANINE AMIDEA2A4O0.79
NFAPHENYLALANINE AMIDEA,B1XAE0.79
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.79
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.79
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.79
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.78
FBA4-FLUOROBENZYLAMINEA1TNH0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.91
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.91
B2FPHENYLALANINE BORONIC ACIDA,P1P060.91
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.91
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.91
BZZBENZYLHYDRAZINEA,B2E2V0.75
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.71
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.71
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.71
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.71
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.71
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
PRA3-PHENYLPROPYLAMINEA1TNK0.88
PRA3-PHENYLPROPYLAMINEM1UTL0.88
PHLL-PHENYLALANINOLA,B1JOH0.81
PHLL-PHENYLALANINOLI3APR0.81
PHLL-PHENYLALANINOLA1DLZ0.81
PHLL-PHENYLALANINOLA1IH90.81
PHLL-PHENYLALANINOLA1OB40.81
PHLL-PHENYLALANINOLI2ER60.81
PHLL-PHENYLALANINOLA1R9U0.81
PHLL-PHENYLALANINOLA1OB70.81
PHLL-PHENYLALANINOLA,B1OB60.81
PHLL-PHENYLALANINOLA,B,C1AMT0.81
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.73
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.83
PBN4-PHENYLBUTYLAMINEA1TNI0.88
PBN4-PHENYLBUTYLAMINEA1UTP0.88
I4BISOBUTYLBENZENEA184L0.72
ABNBENZYLAMINED,H2HXC0.82
ABNBENZYLAMINEA,I1A860.82
ABNBENZYLAMINEA1UTN0.82
ABNBENZYLAMINEA1N6X0.82
ABNBENZYLAMINEA2BZA0.82
ABNBENZYLAMINEA2EUS0.82
ABNBENZYLAMINEA1N6Y0.82
ABNBENZYLAMINEA1UTJ0.82
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
FPRPROPYLBENZENEC1RHK0.74
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.89
PEA2-PHENYLETHYLAMINEA1TNJ0.89
PEA2-PHENYLETHYLAMINED,H2HKM0.89
PEA2-PHENYLETHYLAMINEA1UTO0.89
PEA2-PHENYLETHYLAMINEA,B1D6Y0.89
PEA2-PHENYLETHYLAMINEA,B1D6Z0.89
PEA2-PHENYLETHYLAMINEA,B1D6U0.89
PEA2-PHENYLETHYLAMINEA1UTM0.89
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.7
PHMPHENYLALANYLMETHANEA,I1PJP0.82
PHMPHENYLALANYLMETHANEA,B,C2J9J0.82
PHMPHENYLALANYLMETHANEA,B,C2JE40.82
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.78
CPUA,B1CR60.74
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.7
HPHPHENYLALANINDIOLI1E5O0.78
HPHPHENYLALANINDIOLA,B1ODX0.78
HPHPHENYLALANINDIOLA,B1MTB0.78
HPHPHENYLALANINDIOLA,B2FGV0.78
HPHPHENYLALANINDIOLA1ODW0.78
HPHPHENYLALANINDIOLA,B2FGU0.78
HPHPHENYLALANINDIOLA,B1HXB0.78
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.76
HPEHOMOPHENYLALANINEA,B1B1H0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.93
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.93
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.93
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.93
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.72
PHIIODO-PHENYLALANINEA1TF90.71
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.71
PHIIODO-PHENYLALANINEA1T6H0.71
PHIIODO-PHENYLALANINEA,B,C1NLU0.71
PHIIODO-PHENYLALANINEA,I1GA10.71
PHIIODO-PHENYLALANINEA,I1GA40.71
PHIIODO-PHENYLALANINEP1CZI0.71
271N-methyl-1-phenylmethanamineX2RBT0.79
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.8
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.74
34A3,4-DIMETHYLANILINEA1L4K0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.72
4PH4-methyl-L-phenylalanineB,C3BV90.73
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
DPND-PHENYLALANINEP1MCS0.73
DPND-PHENYLALANINEA1GOE0.73
DPND-PHENYLALANINEA2RM90.73
DPND-PHENYLALANINEA1SOC0.73
DPND-PHENYLALANINEB,C,E,F1SFQ0.73
DPND-PHENYLALANINEI1ABJ0.73
DPND-PHENYLALANINEP1DWE0.73
DPND-PHENYLALANINEI,M1HLT0.73
DPND-PHENYLALANINEA,H,L1J9C0.73
DPND-PHENYLALANINEI,T1TMB0.73
DPND-PHENYLALANINEA2JRY0.73
DPND-PHENYLALANINEA2SOC0.73
DPND-PHENYLALANINEA2YYF0.73
DPND-PHENYLALANINEI2HGT0.73
DPND-PHENYLALANINEA,D2Q3I0.73
DPND-PHENYLALANINEA,P1MCD0.73
DPND-PHENYLALANINEP1HAO0.73
DPND-PHENYLALANINEA,B,I1Z8J0.73
DPND-PHENYLALANINEA,B,C2PGQ0.73
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.73
DPND-PHENYLALANINEP1NRR0.73
DPND-PHENYLALANINEI1PPB0.73
DPND-PHENYLALANINEC,D,G,H1NU70.73
DPND-PHENYLALANINEI2HPP0.73
DPND-PHENYLALANINEB,C2OD30.73
DPND-PHENYLALANINEA1B0Q0.73
DPND-PHENYLALANINEB,C,E,F1NU90.73
DPND-PHENYLALANINEA,B,I1Z8I0.73
DPND-PHENYLALANINEH,I,J1TMU0.73
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.73
DPND-PHENYLALANINEA1GO90.73
DPND-PHENYLALANINEB,C,E,F1A0H0.73
DPND-PHENYLALANINEP1MCF0.73
DPND-PHENYLALANINEA2RME0.73
DPND-PHENYLALANINEH,I1TMT0.73
DPND-PHENYLALANINEI1ABI0.73
DPND-PHENYLALANINER1NRQ0.73
DPND-PHENYLALANINEB,C,F,G2A1D0.73
DPND-PHENYLALANINEA,B2Q330.73
DPND-PHENYLALANINEC,H,L1DAN0.73
DPND-PHENYLALANINEP1MCE0.73
DPND-PHENYLALANINEB,C,E,F2A450.73
DPND-PHENYLALANINEA2RMI0.73
DPND-PHENYLALANINEA,B,I1TQ70.73
DPND-PHENYLALANINEA1W7M0.73
DPND-PHENYLALANINEP1HAP0.73
DPND-PHENYLALANINEA,B1ORF0.73
DPND-PHENYLALANINEI1IHS0.73
DPND-PHENYLALANINEP1MCC0.73
DPND-PHENYLALANINEA2RMD0.73
DPND-PHENYLALANINEA2JQB0.73
DPND-PHENYLALANINEI2HPQ0.73
DPND-PHENYLALANINEC,E,F1SHH0.73
DPND-PHENYLALANINEA,I1CVR0.73
DPND-PHENYLALANINEL,P1AUT0.73
DPND-PHENYLALANINEP1MCI0.73
DPND-PHENYLALANINEH,I3F6U0.73
DPND-PHENYLALANINEA1BFW0.73
DPND-PHENYLALANINEH,I1HAI0.73
DPND-PHENYLALANINEB,C2THF0.73
DPND-PHENYLALANINEI1IHT0.73
DPND-PHENYLALANINEA,P1MCJ0.73
DPND-PHENYLALANINEA1TKH0.73
DPND-PHENYLALANINEC,H,L,T2FIR0.73
DPND-PHENYLALANINEA2FMZ0.73
DPND-PHENYLALANINEA1YL90.73
DPND-PHENYLALANINEI1HUT0.73
DPND-PHENYLALANINEI1FXY0.73
DPND-PHENYLALANINEA1YL80.73
DPND-PHENYLALANINEC,H,L1QFK0.73
DPND-PHENYLALANINEP1MCB0.73
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.74
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.74
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.75
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.89
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.89
PRY2-PROPYL-ANILINEA1OWY0.74
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
PHAPHENYLALANINALA,B1OB20.79
PHAPHENYLALANINALV,Y,Z2WDG0.79
PHAPHENYLALANINALV,Y,Z2WDK0.79
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.79
PHAPHENYLALANINALP3SGA0.79
PHAPHENYLALANINALA,B,C,D,E,F1OB50.79
PHAPHENYLALANINALV,Y,Z2WDM0.79
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.79
PHAPHENYLALANINALA,B1KDV0.79
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.79
PHAPHENYLALANINALA,B1KDY0.79
PHAPHENYLALANINALV,Y,Z3FIC0.79
PHAPHENYLALANINALV,Y,Z2WDH0.79
PHAPHENYLALANINALA,B1KE20.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.77
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.7
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.8
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.75
N4BN-BUTYLBENZENEA186L0.74
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.74
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.74
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.77
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.93
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.93
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.7
IOYP-IODO-D-PHENYLALANINEA1XBU0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.8
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.8
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.8
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.8
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.79
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.72
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.72
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.8
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.86
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.8