MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02485583

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
V36	L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID	B,C	1VGC	0.71
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.78
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.78
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.83
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.73
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.8
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.78
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.81
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.7
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.74
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.86
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.72
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.74
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.71
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.78
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.79
PRY	2-PROPYL-ANILINE	A	1OWY	0.72
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.74
LY1	8,9-DICHLORO-2,3,4,5-TETRAHYDRO- 1H-BENZO[C]AZEPINE	A,B	1N7I	0.71
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.76
CPU		A,B	1CR6	0.78
ABN	BENZYLAMINE	D,H	2HXC	0.81
ABN	BENZYLAMINE	A,I	1A86	0.81
ABN	BENZYLAMINE	A	1UTN	0.81
ABN	BENZYLAMINE	A	1N6X	0.81
ABN	BENZYLAMINE	A	2BZA	0.81
ABN	BENZYLAMINE	A	2EUS	0.81
ABN	BENZYLAMINE	A	1N6Y	0.81
ABN	BENZYLAMINE	A	1UTJ	0.81
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.73
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.73
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.84
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.84
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.73
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.87
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.87
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.76
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.76
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.73
SP9	N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide	A,B	3CNT	0.71
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.7
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.86
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.86
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.86
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.86
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.86
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.86
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.86
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.86
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.77
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.85
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.76
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.76
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.72
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.75
IDM	INDOLINE	A,B	3CEP	0.75
IDM	INDOLINE	A	1AEK	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.83
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.83
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.83
PHA	PHENYLALANINAL	A,B	1OB2	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.74
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	0.74
PHA	PHENYLALANINAL	P	3SGA	0.74
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.74
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	0.74
PHA	PHENYLALANINAL	A,B	1KDV	0.74
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	0.74
PHA	PHENYLALANINAL	A,B	1KDY	0.74
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.74
PHA	PHENYLALANINAL	A,B	1KE2	0.74
SP8	N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide	A,B	3CNS	0.71
M25	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	A,B	2NMX	0.7
M25	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	A	2NNS	0.7
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.79
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.79
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.87
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.87
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.87
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.87
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.72
271	N-methyl-1-phenylmethanamine	X	2RBT	0.85
V35	D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID	B,C	2VGC	0.71
HPH	PHENYLALANINDIOL	I	1E5O	0.71
HPH	PHENYLALANINDIOL	A,B	1ODX	0.71
HPH	PHENYLALANINDIOL	A,B	1MTB	0.71
HPH	PHENYLALANINDIOL	A,B	2FGV	0.71
HPH	PHENYLALANINDIOL	A	1ODW	0.71
HPH	PHENYLALANINDIOL	A,B	2FGU	0.71
HPH	PHENYLALANINDIOL	A,B	1HXB	0.71
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.79
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.85
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.85
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.76
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.76
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.76
N4T	(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE	A,B	2FL2	0.7
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.71
APL	N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE	B,C	1GG6	0.71
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.83
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.73
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.82
DPK	DEPRENYL	A,B	2BYB	0.86
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.79
NYL	N-ALLYL-ANILINE	A	1OVK	0.7
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.72
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.74
NFA	PHENYLALANINE AMIDE	A	2A4O	0.74
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.74
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	B,C	1GG6	0.73
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	6GCH	0.73
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.77
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.75
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.74
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.71
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.84
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.84
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.72
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.84
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.84
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.79
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.71
PHL	L-PHENYLALANINOL	A,B	1JOH	0.74
PHL	L-PHENYLALANINOL	I	3APR	0.74
PHL	L-PHENYLALANINOL	A	1DLZ	0.74
PHL	L-PHENYLALANINOL	A	1IH9	0.74
PHL	L-PHENYLALANINOL	A	1OB4	0.74
PHL	L-PHENYLALANINOL	I	2ER6	0.74
PHL	L-PHENYLALANINOL	A	1R9U	0.74
PHL	L-PHENYLALANINOL	A	1OB7	0.74
PHL	L-PHENYLALANINOL	A,B	1OB6	0.74
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.74