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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02354273

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.93
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.93
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.92
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.92
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.92
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.92
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.9
PEA2-PHENYLETHYLAMINEA1TNJ0.9
PEA2-PHENYLETHYLAMINED,H2HKM0.9
PEA2-PHENYLETHYLAMINEA1UTO0.9
PEA2-PHENYLETHYLAMINEA,B1D6Y0.9
PEA2-PHENYLETHYLAMINEA,B1D6Z0.9
PEA2-PHENYLETHYLAMINEA,B1D6U0.9
PEA2-PHENYLETHYLAMINEA1UTM0.9
PBN4-PHENYLBUTYLAMINEA1TNI0.89
PBN4-PHENYLBUTYLAMINEA1UTP0.89
PRA3-PHENYLPROPYLAMINEA1TNK0.89
PRA3-PHENYLPROPYLAMINEM1UTL0.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.87
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.87
B2FPHENYLALANINE BORONIC ACIDA,P1P060.87
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.87
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.87
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.86
ABNBENZYLAMINED,H2HXC0.83
ABNBENZYLAMINEA,I1A860.83
ABNBENZYLAMINEA1UTN0.83
ABNBENZYLAMINEA1N6X0.83
ABNBENZYLAMINEA2BZA0.83
ABNBENZYLAMINEA2EUS0.83
ABNBENZYLAMINEA1N6Y0.83
ABNBENZYLAMINEA1UTJ0.83
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.83
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.83
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.81
DPKDEPRENYLA,B2BYB0.81
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.81
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.79
PHMPHENYLALANYLMETHANEA,I1PJP0.79
PHMPHENYLALANYLMETHANEA,B,C2J9J0.79
PHMPHENYLALANYLMETHANEA,B,C2JE40.79
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.79
FBA4-FLUOROBENZYLAMINEA1TNH0.79
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.79
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.78
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.78
PHLL-PHENYLALANINOLA,B1JOH0.78
PHLL-PHENYLALANINOLI3APR0.78
PHLL-PHENYLALANINOLA1DLZ0.78
PHLL-PHENYLALANINOLA1IH90.78
PHLL-PHENYLALANINOLA1OB40.78
PHLL-PHENYLALANINOLI2ER60.78
PHLL-PHENYLALANINOLA1R9U0.78
PHLL-PHENYLALANINOLA1OB70.78
PHLL-PHENYLALANINOLA,B1OB60.78
PHLL-PHENYLALANINOLA,B,C1AMT0.78
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.78
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.78
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.78
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.78
NFAPHENYLALANINE AMIDEA2A4O0.78
NFAPHENYLALANINE AMIDEA,B1XAE0.78
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.78
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.78
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.78
PHAPHENYLALANINALA,B1OB20.78
PHAPHENYLALANINALV,Y,Z2WDG0.78
PHAPHENYLALANINALV,Y,Z2WDK0.78
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.78
PHAPHENYLALANINALP3SGA0.78
PHAPHENYLALANINALA,B,C,D,E,F1OB50.78
PHAPHENYLALANINALV,Y,Z2WDM0.78
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.78
PHAPHENYLALANINALA,B1KDV0.78
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.78
PHAPHENYLALANINALA,B1KDY0.78
PHAPHENYLALANINALV,Y,Z3FIC0.78
PHAPHENYLALANINALV,Y,Z2WDH0.78
PHAPHENYLALANINALA,B1KE20.78
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.78
271N-methyl-1-phenylmethanamineX2RBT0.78
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
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
BZZBENZYLHYDRAZINEA,B2E2V0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
CPUA,B1CR60.75
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.75
I4BISOBUTYLBENZENEA184L0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.75
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.75
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.74
HPHPHENYLALANINDIOLI1E5O0.74
HPHPHENYLALANINDIOLA,B1ODX0.74
HPHPHENYLALANINDIOLA,B1MTB0.74
HPHPHENYLALANINDIOLA,B2FGV0.74
HPHPHENYLALANINDIOLA1ODW0.74
HPHPHENYLALANINDIOLA,B2FGU0.74
HPHPHENYLALANINDIOLA,B1HXB0.74
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
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.74
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.74
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.73
FPRPROPYLBENZENEC1RHK0.73
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.73
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.73
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.73
PRY2-PROPYL-ANILINEA1OWY0.73
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.73
N4BN-BUTYLBENZENEA186L0.73
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.71
DPND-PHENYLALANINEP1MCS0.71
DPND-PHENYLALANINEA1GOE0.71
DPND-PHENYLALANINEA2RM90.71
DPND-PHENYLALANINEA1SOC0.71
DPND-PHENYLALANINEB,C,E,F1SFQ0.71
DPND-PHENYLALANINEI1ABJ0.71
DPND-PHENYLALANINEP1DWE0.71
DPND-PHENYLALANINEI,M1HLT0.71
DPND-PHENYLALANINEA,H,L1J9C0.71
DPND-PHENYLALANINEI,T1TMB0.71
DPND-PHENYLALANINEA2JRY0.71
DPND-PHENYLALANINEA2SOC0.71
DPND-PHENYLALANINEA2YYF0.71
DPND-PHENYLALANINEI2HGT0.71
DPND-PHENYLALANINEA,D2Q3I0.71
DPND-PHENYLALANINEA,P1MCD0.71
DPND-PHENYLALANINEP1HAO0.71
DPND-PHENYLALANINEA,B,I1Z8J0.71
DPND-PHENYLALANINEA,B,C2PGQ0.71
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.71
DPND-PHENYLALANINEP1NRR0.71
DPND-PHENYLALANINEI1PPB0.71
DPND-PHENYLALANINEC,D,G,H1NU70.71
DPND-PHENYLALANINEI2HPP0.71
DPND-PHENYLALANINEB,C2OD30.71
DPND-PHENYLALANINEA1B0Q0.71
DPND-PHENYLALANINEB,C,E,F1NU90.71
DPND-PHENYLALANINEA,B,I1Z8I0.71
DPND-PHENYLALANINEH,I,J1TMU0.71
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.71
DPND-PHENYLALANINEA1GO90.71
DPND-PHENYLALANINEB,C,E,F1A0H0.71
DPND-PHENYLALANINEP1MCF0.71
DPND-PHENYLALANINEA2RME0.71
DPND-PHENYLALANINEH,I1TMT0.71
DPND-PHENYLALANINEI1ABI0.71
DPND-PHENYLALANINER1NRQ0.71
DPND-PHENYLALANINEB,C,F,G2A1D0.71
DPND-PHENYLALANINEA,B2Q330.71
DPND-PHENYLALANINEC,H,L1DAN0.71
DPND-PHENYLALANINEP1MCE0.71
DPND-PHENYLALANINEB,C,E,F2A450.71
DPND-PHENYLALANINEA2RMI0.71
DPND-PHENYLALANINEA,B,I1TQ70.71
DPND-PHENYLALANINEA1W7M0.71
DPND-PHENYLALANINEP1HAP0.71
DPND-PHENYLALANINEA,B1ORF0.71
DPND-PHENYLALANINEI1IHS0.71
DPND-PHENYLALANINEP1MCC0.71
DPND-PHENYLALANINEA2RMD0.71
DPND-PHENYLALANINEA2JQB0.71
DPND-PHENYLALANINEI2HPQ0.71
DPND-PHENYLALANINEC,E,F1SHH0.71
DPND-PHENYLALANINEA,I1CVR0.71
DPND-PHENYLALANINEL,P1AUT0.71
DPND-PHENYLALANINEP1MCI0.71
DPND-PHENYLALANINEH,I3F6U0.71
DPND-PHENYLALANINEA1BFW0.71
DPND-PHENYLALANINEH,I1HAI0.71
DPND-PHENYLALANINEB,C2THF0.71
DPND-PHENYLALANINEI1IHT0.71
DPND-PHENYLALANINEA,P1MCJ0.71
DPND-PHENYLALANINEA1TKH0.71
DPND-PHENYLALANINEC,H,L,T2FIR0.71
DPND-PHENYLALANINEA2FMZ0.71
DPND-PHENYLALANINEA1YL90.71
DPND-PHENYLALANINEI1HUT0.71
DPND-PHENYLALANINEI1FXY0.71
DPND-PHENYLALANINEA1YL80.71
DPND-PHENYLALANINEC,H,L1QFK0.71
DPND-PHENYLALANINEP1MCB0.71
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
34A3,4-DIMETHYLANILINEA1L4K0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.71
PXYPARA-XYLENEA187L0.7
PXYPARA-XYLENEA225L0.7
4PH4-methyl-L-phenylalanineB,C3BV90.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7