MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02189847

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
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.73
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.74
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.78
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.78
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.73
CPU		A,B	1CR6	0.75
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.72
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.72
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
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.73
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.83
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.83
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.74
4CM	(4-CARBAMIMIDOYLPHENYL)-METHYL- PHOSPHINIC ACID	A	1TX7	0.71
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.72
S27	N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT- 4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID	A,B	1B3D	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.77
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.77
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.77
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.7
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.71
PRY	2-PROPYL-ANILINE	A	1OWY	0.73
DPK	DEPRENYL	A,B	2BYB	0.76
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.7
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.7
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.74
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.72
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.7
ABN	BENZYLAMINE	D,H	2HXC	0.79
ABN	BENZYLAMINE	A,I	1A86	0.79
ABN	BENZYLAMINE	A	1UTN	0.79
ABN	BENZYLAMINE	A	1N6X	0.79
ABN	BENZYLAMINE	A	2BZA	0.79
ABN	BENZYLAMINE	A	2EUS	0.79
ABN	BENZYLAMINE	A	1N6Y	0.79
ABN	BENZYLAMINE	A	1UTJ	0.79
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.76
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.76
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.71
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.71
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.79
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.79
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.79
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.79
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.79
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.73
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	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
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.72
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.72
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.72
NFA	PHENYLALANINE AMIDE	A	2A4O	0.72
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.72
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.72
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.72
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.72
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.74
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.72
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.82
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.7
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.76
PHL	L-PHENYLALANINOL	A,B	1JOH	0.72
PHL	L-PHENYLALANINOL	I	3APR	0.72
PHL	L-PHENYLALANINOL	A	1DLZ	0.72
PHL	L-PHENYLALANINOL	A	1IH9	0.72
PHL	L-PHENYLALANINOL	A	1OB4	0.72
PHL	L-PHENYLALANINOL	I	2ER6	0.72
PHL	L-PHENYLALANINOL	A	1R9U	0.72
PHL	L-PHENYLALANINOL	A	1OB7	0.72
PHL	L-PHENYLALANINOL	A,B	1OB6	0.72
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.71
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.79
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.79
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.79
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.79
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.79
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.79
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.79
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.79
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.77
271	N-methyl-1-phenylmethanamine	X	2RBT	0.77
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.83
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.83
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.83
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.83
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.82
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.82
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.71
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.72
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.72
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.72
PHA	PHENYLALANINAL	A,B	1OB2	0.72
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.72
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.72
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.72
PHA	PHENYLALANINAL	P	3SGA	0.72
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.72
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.72
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.72
PHA	PHENYLALANINAL	A,B	1KDV	0.72
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.72
PHA	PHENYLALANINAL	A,B	1KDY	0.72
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.72
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.72
PHA	PHENYLALANINAL	A,B	1KE2	0.72
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.74
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.79
34A	3,4-DIMETHYLANILINE	A	1L4K	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.78
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.78
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.78
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.74