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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011670

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.87
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.89
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.78
FBA4-FLUOROBENZYLAMINEA1TNH0.78
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.74
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.74
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.82
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.85
FPRPROPYLBENZENEC1RHK0.74
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.74
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
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.7
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.71
NPYNAPHTHALENEA,B1O7G0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.7
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.73
BZZBENZYLHYDRAZINEA,B2E2V0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.79
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
ABNBENZYLAMINED,H2HXC0.81
ABNBENZYLAMINEA,I1A860.81
ABNBENZYLAMINEA1UTN0.81
ABNBENZYLAMINEA1N6X0.81
ABNBENZYLAMINEA2BZA0.81
ABNBENZYLAMINEA2EUS0.81
ABNBENZYLAMINEA1N6Y0.81
ABNBENZYLAMINEA1UTJ0.81
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
BDBA,B1KE30.77
PBN4-PHENYLBUTYLAMINEA1TNI0.9
PBN4-PHENYLBUTYLAMINEA1UTP0.9
PRA3-PHENYLPROPYLAMINEA1TNK0.9
PRA3-PHENYLPROPYLAMINEM1UTL0.9
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.74
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.79
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.85
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.88
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.85
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.85
B2FPHENYLALANINE BORONIC ACIDA,P1P060.85
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.85
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.85
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.89
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.89
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
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
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
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
N4BN-BUTYLBENZENEA186L0.74
DPKDEPRENYLA,B2BYB0.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.85
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.85
I4BISOBUTYLBENZENEA184L0.76
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
PHMPHENYLALANYLMETHANEA,I1PJP0.74
PHMPHENYLALANYLMETHANEA,B,C2J9J0.74
PHMPHENYLALANYLMETHANEA,B,C2JE40.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.74
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
CPUA,B1CR60.76
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.84
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.73
271N-methyl-1-phenylmethanamineX2RBT0.77
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
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.72
DENINDENEA183L0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.76
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.73
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.73
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.73
NFAPHENYLALANINE AMIDEA2A4O0.73
NFAPHENYLALANINE AMIDEA,B1XAE0.73
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.73
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.73
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.73
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.82
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.82
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71