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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00441874

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.74
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.83
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.81
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
BZZBENZYLHYDRAZINEA,B2E2V0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.82
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.82
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
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.78
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.7
271N-methyl-1-phenylmethanamineX2RBT0.76
N4BN-BUTYLBENZENEA186L0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.84
FBA4-FLUOROBENZYLAMINEA1TNH0.84
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.73
PHLL-PHENYLALANINOLA,B1JOH0.7
PHLL-PHENYLALANINOLI3APR0.7
PHLL-PHENYLALANINOLA1DLZ0.7
PHLL-PHENYLALANINOLA1IH90.7
PHLL-PHENYLALANINOLA1OB40.7
PHLL-PHENYLALANINOLI2ER60.7
PHLL-PHENYLALANINOLA1R9U0.7
PHLL-PHENYLALANINOLA1OB70.7
PHLL-PHENYLALANINOLA,B1OB60.7
PHLL-PHENYLALANINOLA,B,C1AMT0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.7
DPKDEPRENYLA,B2BYB0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.81
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.81
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.7
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.7
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.7
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.7
NFAPHENYLALANINE AMIDEA2A4O0.7
NFAPHENYLALANINE AMIDEA,B1XAE0.7
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.7
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.7
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.7
I4BISOBUTYLBENZENEA184L0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.73
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.73
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
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.83
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.83
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.81
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
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
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.82
B2FPHENYLALANINE BORONIC ACIDA,P1P060.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.82
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.82
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.72
DENINDENEA183L0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
FPRPROPYLBENZENEC1RHK0.71
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.84
PBN4-PHENYLBUTYLAMINEA1UTP0.84
PRA3-PHENYLPROPYLAMINEA1TNK0.84
PRA3-PHENYLPROPYLAMINEM1UTL0.84
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.96