MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00709556

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.76
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.72
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.73
LPF	1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	7GCH	0.71
I4B	ISOBUTYLBENZENE	A	184L	0.72
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.71
NFA	PHENYLALANINE AMIDE	A	2A4O	0.71
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.71
FPR	PROPYLBENZENE	C	1RHK	0.74
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.73
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.73
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.73
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
DI5	AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH	H	1LHG	0.72
FAF	2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE	B,C	1GGD	0.72
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.78
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.76
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.85
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.74
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE	A,B,C,D	1TP7	0.73
JNH	1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	I,J	2AJL	0.71
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.73
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.73
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.74
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.7
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.81
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.81
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.77
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.77
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.77
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.77
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.77
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.77
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.77
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.77
TTX	TENTOXIN	B	1KMH	0.71
MIN	METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE	H,I	1TOM	0.7
OXE	ORTHO-XYLENE	A,B	3E0X	0.72
OXE	ORTHO-XYLENE	A	188L	0.72
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.73
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.79
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.79
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.76
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.76
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
ABN	BENZYLAMINE	D,H	2HXC	0.73
ABN	BENZYLAMINE	A,I	1A86	0.73
ABN	BENZYLAMINE	A	1UTN	0.73
ABN	BENZYLAMINE	A	1N6X	0.73
ABN	BENZYLAMINE	A	2BZA	0.73
ABN	BENZYLAMINE	A	2EUS	0.73
ABN	BENZYLAMINE	A	1N6Y	0.73
ABN	BENZYLAMINE	A	1UTJ	0.73
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.78
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.78
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.78
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.78
N4B	N-BUTYLBENZENE	A	186L	0.74
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.71
MBH	1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION	A	1BMA	0.71
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.81
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.81
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.81
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.81
DPK	DEPRENYL	A,B	2BYB	0.92
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.89
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.75
CPU		A,B	1CR6	0.76
DP4	TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE- N-OXIDE	A,B,C,D,E,F, G,H	1ND0	0.74
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.7
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.73
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.76
271	N-methyl-1-phenylmethanamine	X	2RBT	0.77
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.82
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.82
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.7
DI4	AC-(D)PHE-PRO-BOROHOMOLYS-OH	H	1LHF	0.71
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.72
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.72
GG3	{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID)	A,B	2P1C	0.75
GG3	{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID)	A,B	2Z7H	0.75
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.7
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.79
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.71
DI2	AC-(D)PHE-PRO-BOROLYS-OH	H	1LHD	0.71